2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine

C16H19N3 — CID 79980685

IUPAC2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(C3CC3)c2)nc(N)c1C
InChIInChI=1S/C16H19N3/c1-3-14-10(2)15(17)19-16(18-14)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyVEDAWEBYKJGWJE-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine

2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 79980685) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID79980685
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(C3CC3)c2)nc(N)c1C
InChIInChI=1S/C16H19N3/c1-3-14-10(2)15(17)19-16(18-14)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H2,17,18,19)
InChIKeyVEDAWEBYKJGWJE-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine (CID 79980685) is 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(-c2cccc(C3CC3)c2)nc(N)c1C.
What is the InChIKey of 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is VEDAWEBYKJGWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-14-10(2)15(17)19-16(18-14)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine?
2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79980685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).