4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine

C13H16N4 — CID 116898349

IUPAC4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine
SMILESCC(N)CCc1nccc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4/c1-10(14)5-6-13-16-9-7-12(17-13)11-4-2-3-8-15-11/h2-4,7-10H,5-6,14H2,1H3
InChIKeyAZKFDAMVMOLIBJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine

4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine (PubChem CID 116898349) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine
PubChem CID116898349
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine
SMILESCC(N)CCc1nccc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4/c1-10(14)5-6-13-16-9-7-12(17-13)11-4-2-3-8-15-11/h2-4,7-10H,5-6,14H2,1H3
InChIKeyAZKFDAMVMOLIBJ-UHFFFAOYSA-N
XLogP1.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine (CID 116898349) is 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine is CC(N)CCc1nccc(-c2ccccn2)n1.
What is the InChIKey of 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine?
The InChIKey is AZKFDAMVMOLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(14)5-6-13-16-9-7-12(17-13)11-4-2-3-8-15-11/h2-4,7-10H,5-6,14H2,1H3.
What are the key properties of 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine?
4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 116898349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).