1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine

C14H17N3 — CID 55204515

IUPAC1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-12(15)14-16-10(2)9-13(17-14)11-7-5-4-6-8-11/h4-9,12H,3,15H2,1-2H3
InChIKeyNUVOFEPSUWVNTG-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine

1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine (PubChem CID 55204515) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
PubChem CID55204515
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)cc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-12(15)14-16-10(2)9-13(17-14)11-7-5-4-6-8-11/h4-9,12H,3,15H2,1-2H3
InChIKeyNUVOFEPSUWVNTG-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine (CID 55204515) is 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine is CCC(N)c1nc(C)cc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
The InChIKey is NUVOFEPSUWVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12(15)14-16-10(2)9-13(17-14)11-7-5-4-6-8-11/h4-9,12H,3,15H2,1-2H3.
What are the key properties of 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine?
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 55204515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).