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

C14H18N4 — CID 62746111

IUPAC1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-3-12(15)9-13-8-10(2)17-14(18-13)11-4-6-16-7-5-11/h4-8,12H,3,9,15H2,1-2H3
InChIKeyOQHLOTAAEBHTEH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.13
Rot. Bonds4

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

1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine (PubChem CID 62746111) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
PubChem CID62746111
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-3-12(15)9-13-8-10(2)17-14(18-13)11-4-6-16-7-5-11/h4-8,12H,3,9,15H2,1-2H3
InChIKeyOQHLOTAAEBHTEH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine (CID 62746111) is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine is CCC(N)Cc1cc(C)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine?
The InChIKey is OQHLOTAAEBHTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-12(15)9-13-8-10(2)17-14(18-13)11-4-6-16-7-5-11/h4-8,12H,3,9,15H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine?
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 62746111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).