1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide

C18H19F2N3O2 — CID 140765788

IUPAC1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)cc(=O)n1[C@@H](c1ccc(C(F)F)cc1)C1(C)CC1
InChIInChI=1S/C18H19F2N3O2/c1-10-22-13(17(21)25)9-14(24)23(10)15(18(2)7-8-18)11-3-5-12(6-4-11)16(19)20/h3-6,9,15-16H,7-8H2,1-2H3,(H2,21,25)/t15-/m0/s1
InChIKeyNBGNDJOBMLKGEI-HNNXBMFYSA-N
MW347.37 g/mol
LogP2.98
Rot. Bonds5

About 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide

1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 140765788) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID140765788
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)cc(=O)n1[C@@H](c1ccc(C(F)F)cc1)C1(C)CC1
InChIInChI=1S/C18H19F2N3O2/c1-10-22-13(17(21)25)9-14(24)23(10)15(18(2)7-8-18)11-3-5-12(6-4-11)16(19)20/h3-6,9,15-16H,7-8H2,1-2H3,(H2,21,25)/t15-/m0/s1
InChIKeyNBGNDJOBMLKGEI-HNNXBMFYSA-N
XLogP2.98
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide (CID 140765788) is 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide is Cc1nc(C(N)=O)cc(=O)n1[C@@H](c1ccc(C(F)F)cc1)C1(C)CC1.
What is the InChIKey of 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is NBGNDJOBMLKGEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-10-22-13(17(21)25)9-14(24)23(10)15(18(2)7-8-18)11-3-5-12(6-4-11)16(19)20/h3-6,9,15-16H,7-8H2,1-2H3,(H2,21,25)/t15-/m0/s1.
What are the key properties of 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide?
1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methyl]-2-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 140765788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).