2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine

C14H18N4 — CID 116896429

IUPAC2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCCC(CN)c1nc(C)cc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-3-11(9-15)14-17-10(2)8-13(18-14)12-4-6-16-7-5-12/h4-8,11H,3,9,15H2,1-2H3
InChIKeyBPXRBBFUXNUEIE-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine

2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (PubChem CID 116896429) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
PubChem CID116896429
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCCC(CN)c1nc(C)cc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-3-11(9-15)14-17-10(2)8-13(18-14)12-4-6-16-7-5-12/h4-8,11H,3,9,15H2,1-2H3
InChIKeyBPXRBBFUXNUEIE-UHFFFAOYSA-N
XLogP2.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-ol
CID 116896390
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116896424
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116893092
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
CID 82409825
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
N-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]butan-1-amine
CID 116896599
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (CID 116896429) is 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is CCC(CN)c1nc(C)cc(-c2ccncc2)n1.
What is the InChIKey of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The InChIKey is BPXRBBFUXNUEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-11(9-15)14-17-10(2)8-13(18-14)12-4-6-16-7-5-12/h4-8,11H,3,9,15H2,1-2H3.
What are the key properties of 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 116896429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).