2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O — CID 109307055

IUPAC2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-15(2,3)20-14-17-9-7-12(19-14)13(21)18-10-11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyQDQFGRGBXOWIHW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds4

About 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307055) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307055
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-15(2,3)20-14-17-9-7-12(19-14)13(21)18-10-11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyQDQFGRGBXOWIHW-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
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
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307143
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307139
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307040
2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307146

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307055) is 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CC(C)(C)Nc1nccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QDQFGRGBXOWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,3)20-14-17-9-7-12(19-14)13(21)18-10-11-6-4-5-8-16-11/h4-9H,10H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).