N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C15H19N5O — CID 109296920

IUPACN-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-11(2)9-18-14(21)13-6-8-17-15(20-13)19-10-12-5-3-4-7-16-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyXLSICAUUBGSZNV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds6

About N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109296920) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109296920
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-11(2)9-18-14(21)13-6-8-17-15(20-13)19-10-12-5-3-4-7-16-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyXLSICAUUBGSZNV-UHFFFAOYSA-N
XLogP1.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307143
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306960

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109296920) is N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is CC(C)CNC(=O)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is XLSICAUUBGSZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(2)9-18-14(21)13-6-8-17-15(20-13)19-10-12-5-3-4-7-16-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).