N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

C15H19FN6O — CID 128987798

IUPACN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)[nH]1
InChIInChI=1S/C15H19FN6O/c1-10-18-6-13(20-10)15(23)21(2)8-12-5-11(16)7-22(12)14-3-4-17-9-19-14/h3-4,6,9,11-12H,5,7-8H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyMUQRBNZCZABWGB-RYUDHWBXSA-N
MW318.36 g/mol
LogP1.20
Rot. Bonds4

About N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (PubChem CID 128987798) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
PubChem CID128987798
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)[nH]1
InChIInChI=1S/C15H19FN6O/c1-10-18-6-13(20-10)15(23)21(2)8-12-5-11(16)7-22(12)14-3-4-17-9-19-14/h3-4,6,9,11-12H,5,7-8H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyMUQRBNZCZABWGB-RYUDHWBXSA-N
XLogP1.20
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (CID 128987798) is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The InChIKey is MUQRBNZCZABWGB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-10-18-6-13(20-10)15(23)21(2)8-12-5-11(16)7-22(12)14-3-4-17-9-19-14/h3-4,6,9,11-12H,5,7-8H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 128987798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).