6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H28N4O — CID 109369260

IUPAC6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-15(17-10-6-5-7-11-17)22-21(26)19-14-20(24-16(2)23-19)25-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDJTQQLIHAIFNJI-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.41
Rot. Bonds5

About 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109369260) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109369260
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C21H28N4O/c1-15(17-10-6-5-7-11-17)22-21(26)19-14-20(24-16(2)23-19)25-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDJTQQLIHAIFNJI-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
2-N-cyclopentyl-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109094954
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
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-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109369260) is 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is Cc1nc(NC2CCCCCC2)cc(C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is DJTQQLIHAIFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(17-10-6-5-7-11-17)22-21(26)19-14-20(24-16(2)23-19)25-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).