1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide

C24H23N3O2 — CID 140765790

IUPAC1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C24H23N3O2/c25-23(29)20-14-21(28)27(24(26-20)19-4-2-1-3-5-19)22(18-12-13-18)17-10-8-16(9-11-17)15-6-7-15/h1-5,8-11,14-15,18,22H,6-7,12-13H2,(H2,25,29)/t22-/m0/s1
InChIKeyLPLJXMNADROVMF-QFIPXVFZSA-N
MW385.47 g/mol
LogP3.89
Rot. Bonds6

About 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide

1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide (PubChem CID 140765790) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide
PubChem CID140765790
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C24H23N3O2/c25-23(29)20-14-21(28)27(24(26-20)19-4-2-1-3-5-19)22(18-12-13-18)17-10-8-16(9-11-17)15-6-7-15/h1-5,8-11,14-15,18,22H,6-7,12-13H2,(H2,25,29)/t22-/m0/s1
InChIKeyLPLJXMNADROVMF-QFIPXVFZSA-N
XLogP3.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide (CID 140765790) is 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide is NC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LPLJXMNADROVMF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-23(29)20-14-21(28)27(24(26-20)19-4-2-1-3-5-19)22(18-12-13-18)17-10-8-16(9-11-17)15-6-7-15/h1-5,8-11,14-15,18,22H,6-7,12-13H2,(H2,25,29)/t22-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide?
1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 140765790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).