2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide

C19H23N3O2 — CID 136982709

IUPAC2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)c1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-11(2)13-4-6-14(7-5-13)12(3)20-19(24)16-10-17(23)22-18(21-16)15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyKCNSPSBCPHTPMW-GFCCVEGCSA-N
MW325.41 g/mol
LogP3.26
Rot. Bonds5

About 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982709) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136982709
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)c1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-11(2)13-4-6-14(7-5-13)12(3)20-19(24)16-10-17(23)22-18(21-16)15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyKCNSPSBCPHTPMW-GFCCVEGCSA-N
XLogP3.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
CID 144874221
2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154832427
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162615981
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982685
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
2-cyclopropyl-6-oxo-N-[phenyl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 136982840
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 137126133
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide (CID 136982709) is 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide is CC(C)c1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is KCNSPSBCPHTPMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11(2)13-4-6-14(7-5-13)12(3)20-19(24)16-10-17(23)22-18(21-16)15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,24)(H,21,22,23)/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).