6-(6-phenylhexan-3-yl)pyrimidin-4-amine

C16H21N3 — CID 123608514

IUPAC6-(6-phenylhexan-3-yl)pyrimidin-4-amine
SMILESCCC(CCCc1ccccc1)c1cc(N)ncn1
InChIInChI=1S/C16H21N3/c1-2-14(15-11-16(17)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3,(H2,17,18,19)
InChIKeyXFBFCSOJJJDDGG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.58
Rot. Bonds6

About 6-(6-phenylhexan-3-yl)pyrimidin-4-amine

6-(6-phenylhexan-3-yl)pyrimidin-4-amine (PubChem CID 123608514) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(6-phenylhexan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-phenylhexan-3-yl)pyrimidin-4-amine
PubChem CID123608514
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(6-phenylhexan-3-yl)pyrimidin-4-amine
SMILESCCC(CCCc1ccccc1)c1cc(N)ncn1
InChIInChI=1S/C16H21N3/c1-2-14(15-11-16(17)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3,(H2,17,18,19)
InChIKeyXFBFCSOJJJDDGG-UHFFFAOYSA-N
XLogP3.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-phenylhexan-3-yl)pyrimidin-4-amine
CID 123517058
1-(1,3-oxazol-2-yl)-4-phenylbutan-1-amine
CID 166554301
1-phenyloctan-4-amine
CID 79413314
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093
3-ethyl-4-(6-phenylhexan-3-yl)pyridine
CID 14883833
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
CID 103373753
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
4-phenyl-1-pyrimidin-4-ylbutan-1-ol
CID 63988109
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469

Frequently Asked Questions

What is the IUPAC name of 6-(6-phenylhexan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(6-phenylhexan-3-yl)pyrimidin-4-amine (CID 123608514) is 6-(6-phenylhexan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(6-phenylhexan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(6-phenylhexan-3-yl)pyrimidin-4-amine is CCC(CCCc1ccccc1)c1cc(N)ncn1.
What is the InChIKey of 6-(6-phenylhexan-3-yl)pyrimidin-4-amine?
The InChIKey is XFBFCSOJJJDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-14(15-11-16(17)19-12-18-15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12,14H,2,6,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 6-(6-phenylhexan-3-yl)pyrimidin-4-amine?
6-(6-phenylhexan-3-yl)pyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenylhexan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 123608514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).