N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide

C21H26N4O2 — CID 109373944

IUPACN-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NC3CCCCCC3)nc(C)n2)cc1
InChIInChI=1S/C21H26N4O2/c1-14(26)16-9-11-18(12-10-16)25-21(27)19-13-20(23-15(2)22-19)24-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyCVGFUKUFMDUJNP-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.37
Rot. Bonds5

About N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373944) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373944
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NC3CCCCCC3)nc(C)n2)cc1
InChIInChI=1S/C21H26N4O2/c1-14(26)16-9-11-18(12-10-16)25-21(27)19-13-20(23-15(2)22-19)24-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyCVGFUKUFMDUJNP-UHFFFAOYSA-N
XLogP4.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-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

Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
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
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
N-(4-acetylphenyl)-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274951
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide (CID 109373944) is N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(NC3CCCCCC3)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is CVGFUKUFMDUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(26)16-9-11-18(12-10-16)25-21(27)19-13-20(23-15(2)22-19)24-17-7-5-3-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).