2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109311475

IUPAC2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-10-8-15(9-11-16)21-18(24)17-12-13-20-19(23-17)22-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyMPAYKNHWUWSCGJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.87
Rot. Bonds5

About 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109311475) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109311475
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-10-8-15(9-11-16)21-18(24)17-12-13-20-19(23-17)22-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyMPAYKNHWUWSCGJ-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109311475) is 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is MPAYKNHWUWSCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-16-10-8-15(9-11-16)21-18(24)17-12-13-20-19(23-17)22-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).