3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine

C15H20N4 — CID 116893092

IUPAC3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCc1cc(-c2ccncc2)nc(C(C)(C)CCN)n1
InChIInChI=1S/C15H20N4/c1-11-10-13(12-4-8-17-9-5-12)19-14(18-11)15(2,3)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyUFWIXYOGIAFIAP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds4

About 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine

3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (PubChem CID 116893092) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
PubChem CID116893092
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCc1cc(-c2ccncc2)nc(C(C)(C)CCN)n1
InChIInChI=1S/C15H20N4/c1-11-10-13(12-4-8-17-9-5-12)19-14(18-11)15(2,3)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyUFWIXYOGIAFIAP-UHFFFAOYSA-N
XLogP2.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (CID 116893092) is 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is Cc1cc(-c2ccncc2)nc(C(C)(C)CCN)n1.
What is the InChIKey of 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The InChIKey is UFWIXYOGIAFIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-10-13(12-4-8-17-9-5-12)19-14(18-11)15(2,3)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3.
What are the key properties of 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 116893092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).