2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide

C19H24N4O2 — CID 109263226

IUPAC2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C19H24N4O2/c1-25-17-11-7-6-10-16(17)23-18(24)14-12-20-19(21-13-14)22-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyPHHRYHZMALIWBO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.87
Rot. Bonds5

About 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109263226) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109263226
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C19H24N4O2/c1-25-17-11-7-6-10-16(17)23-18(24)14-12-20-19(21-13-14)22-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyPHHRYHZMALIWBO-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

2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (CID 109263226) is 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is PHHRYHZMALIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-11-7-6-10-16(17)23-18(24)14-12-20-19(21-13-14)22-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-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-(2-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).