N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide

C20H25N5O2 — CID 109363896

IUPACN-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-13-21-18(12-19(22-13)24-15-6-4-3-5-7-15)20(27)25-17-10-8-16(9-11-17)23-14(2)26/h8-12,15H,3-7H2,1-2H3,(H,23,26)(H,25,27)(H,21,22,24)
InChIKeyYFBMCMASJQVEPM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.74
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide

N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363896) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109363896
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-13-21-18(12-19(22-13)24-15-6-4-3-5-7-15)20(27)25-17-10-8-16(9-11-17)23-14(2)26/h8-12,15H,3-7H2,1-2H3,(H,23,26)(H,25,27)(H,21,22,24)
InChIKeyYFBMCMASJQVEPM-UHFFFAOYSA-N
XLogP3.74
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide (CID 109363896) is N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YFBMCMASJQVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-21-18(12-19(22-13)24-15-6-4-3-5-7-15)20(27)25-17-10-8-16(9-11-17)23-14(2)26/h8-12,15H,3-7H2,1-2H3,(H,23,26)(H,25,27)(H,21,22,24).
What are the key properties of N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).