N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

C19H22N4O2 — CID 109298721

IUPACN-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyQKRUJXULXCBIIG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.68
Rot. Bonds5

About N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 109298721) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID109298721
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyQKRUJXULXCBIIG-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (CID 109298721) is N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is QKRUJXULXCBIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).