2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine

C15H19N3 — CID 55045645

IUPAC2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(C(C)C)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-9(2)13-8-14(16)18-15(17-13)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyHPBUPTHSJYXHRA-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.47
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine

2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 55045645) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID55045645
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(C(C)C)n2)c(C)c1
InChIInChI=1S/C15H19N3/c1-9(2)13-8-14(16)18-15(17-13)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyHPBUPTHSJYXHRA-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
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-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine (CID 55045645) is 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine is Cc1ccc(-c2nc(N)cc(C(C)C)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HPBUPTHSJYXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-9(2)13-8-14(16)18-15(17-13)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine?
2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55045645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).