2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C17H21N5O — CID 109321942

IUPAC2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc(NC2CCCC2)n1
InChIInChI=1S/C17H21N5O/c1-12-10-15(16(23)19-11-14-8-4-5-9-18-14)22-17(20-12)21-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMNSDBOMVMGXTJK-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.46
Rot. Bonds5

About 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109321942) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109321942
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc(NC2CCCC2)n1
InChIInChI=1S/C17H21N5O/c1-12-10-15(16(23)19-11-14-8-4-5-9-18-14)22-17(20-12)21-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMNSDBOMVMGXTJK-UHFFFAOYSA-N
XLogP2.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109321942) is 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccn2)nc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is MNSDBOMVMGXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-10-15(16(23)19-11-14-8-4-5-9-18-14)22-17(20-12)21-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).