M5F

1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione

Created:	2014-07-18
Last modified:	2015-07-29

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1 entries where M5F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of M5F

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Chemical Component Summary
Name	1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	1-[(2S)-2,3-bis(azanyl)propyl]-5-fluoranyl-pyrimidine-2,4-dione
Formula	C₇ H₁₁ F N₄ O₂
Molecular Weight	202.186
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1=CN(C(=O)NC1=O)CC(N)CN
SMILES	CACTVS	3.385	NC[CH](N)CN1C=C(F)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.9.2	C1=C(C(=O)NC(=O)N1CC(CN)N)F
Canonical SMILES	CACTVS	3.385	NC[C@H](N)CN1C=C(F)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F
InChI	InChI	1.03	InChI=1S/C7H11FN4O2/c8-5-3-12(2-4(10)1-9)7(14)11-6(5)13/h3-4H,1-2,9-10H2,(H,11,13,14)/t4-/m0/s1
InChIKey	InChI	1.03	ZBKWVMMCABYTAU-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	91824266

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