2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C16H21N5O — CID 109307058

IUPAC2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-12(2)6-9-18-16-19-10-7-14(21-16)15(22)20-11-13-5-3-4-8-17-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyVGBGOCFXZKGKFJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.26
Rot. Bonds7

About 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307058) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307058
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-12(2)6-9-18-16-19-10-7-14(21-16)15(22)20-11-13-5-3-4-8-17-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyVGBGOCFXZKGKFJ-UHFFFAOYSA-N
XLogP2.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.26
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-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
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-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307058) is 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CC(C)CCNc1nccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is VGBGOCFXZKGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)6-9-18-16-19-10-7-14(21-16)15(22)20-11-13-5-3-4-8-17-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).