2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

C21H28N4O — CID 109263206

IUPAC2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H28N4O/c1-15(2)16-9-11-19(12-10-16)24-20(26)17-13-22-21(23-14-17)25-18-7-5-3-4-6-8-18/h9-15,18H,3-8H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyQWWJZKFVTCFPAY-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.99
Rot. Bonds5

About 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109263206) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109263206
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H28N4O/c1-15(2)16-9-11-19(12-10-16)24-20(26)17-13-22-21(23-14-17)25-18-7-5-3-4-6-8-18/h9-15,18H,3-8H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyQWWJZKFVTCFPAY-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
CID 53108614
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109263206) is 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(NC3CCCCCC3)nc2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is QWWJZKFVTCFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)16-9-11-19(12-10-16)24-20(26)17-13-22-21(23-14-17)25-18-7-5-3-4-6-8-18/h9-15,18H,3-8H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).