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

C14H18N4 — CID 116898394

IUPAC3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1nccc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,6-7-15)13-17-10-5-12(18-13)11-3-8-16-9-4-11/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyVTDDXSDYOMJMJH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.16
Rot. Bonds4

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

3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (PubChem CID 116898394) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
PubChem CID116898394
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1nccc(-c2ccncc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,6-7-15)13-17-10-5-12(18-13)11-3-8-16-9-4-11/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyVTDDXSDYOMJMJH-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine (CID 116898394) is 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is CC(C)(CCN)c1nccc(-c2ccncc2)n1.
What is the InChIKey of 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
The InChIKey is VTDDXSDYOMJMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,6-7-15)13-17-10-5-12(18-13)11-3-8-16-9-4-11/h3-5,8-10H,6-7,15H2,1-2H3.
What are the key properties of 3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine?
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.16, 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-pyridin-4-ylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 116898394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).