2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C18H22N4O2 — CID 109322031

IUPAC2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-15(22-18(19-12)20-13-7-3-4-8-13)17(23)21-14-9-5-6-10-16(14)24-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeySFVZAMAHWWCSAE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.40
Rot. Bonds5

About 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322031) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109322031
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-11-15(22-18(19-12)20-13-7-3-4-8-13)17(23)21-14-9-5-6-10-16(14)24-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeySFVZAMAHWWCSAE-UHFFFAOYSA-N
XLogP3.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332917
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
N-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109322031) is 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(C)nc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SFVZAMAHWWCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-15(22-18(19-12)20-13-7-3-4-8-13)17(23)21-14-9-5-6-10-16(14)24-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).