6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O — CID 109340604

IUPAC6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccccn2)ncn1
InChIInChI=1S/C15H19N5O/c1-3-11(2)20-14-8-13(18-10-19-14)15(21)17-9-12-6-4-5-7-16-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeySNWKHAHMRKMORS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds6

About 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109340604) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109340604
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccccn2)ncn1
InChIInChI=1S/C15H19N5O/c1-3-11(2)20-14-8-13(18-10-19-14)15(21)17-9-12-6-4-5-7-16-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeySNWKHAHMRKMORS-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
6-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109340748
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109340604) is 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCc2ccccn2)ncn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SNWKHAHMRKMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-11(2)20-14-8-13(18-10-19-14)15(21)17-9-12-6-4-5-7-16-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).