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

C13H16N4 — CID 116898228

IUPAC3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
SMILESCC(CCN)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-10(4-6-14)13-16-8-5-12(17-13)11-3-2-7-15-9-11/h2-3,5,7-10H,4,6,14H2,1H3
InChIKeyBGUOCPMKZIYYIK-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.99
Rot. Bonds4

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

3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine (PubChem CID 116898228) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
PubChem CID116898228
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
SMILESCC(CCN)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C13H16N4/c1-10(4-6-14)13-16-8-5-12(17-13)11-3-2-7-15-9-11/h2-3,5,7-10H,4,6,14H2,1H3
InChIKeyBGUOCPMKZIYYIK-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
3-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)butan-2-one
CID 157428636
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
2,6-dipyridin-3-ylpyridine
CID 13349632
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-propan-2-yl-6-pyridin-3-ylpyridine
CID 118124535
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139
2-(1-chloroethyl)-4-phenylpyrimidine
CID 80655091
2-pyridin-3-yl-1,5-naphthyridine
CID 151981661
2-bromo-3-ethyl-6-pyridin-3-ylpyridine
CID 175213235
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine (CID 116898228) is 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine is CC(CCN)c1nccc(-c2cccnc2)n1.
What is the InChIKey of 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine?
The InChIKey is BGUOCPMKZIYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(4-6-14)13-16-8-5-12(17-13)11-3-2-7-15-9-11/h2-3,5,7-10H,4,6,14H2,1H3.
What are the key properties of 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine?
3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 116898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).