6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine

C14H17N3 — CID 62190498

IUPAC6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)cc(CC)n2)cc1
InChIInChI=1S/C14H17N3/c1-3-10-5-7-11(8-6-10)14-16-12(4-2)9-13(15)17-14/h5-9H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyLYHDPLBOAMUZKJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.85
Rot. Bonds3

About 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine

6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine (PubChem CID 62190498) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
PubChem CID62190498
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)cc(CC)n2)cc1
InChIInChI=1S/C14H17N3/c1-3-10-5-7-11(8-6-10)14-16-12(4-2)9-13(15)17-14/h5-9H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyLYHDPLBOAMUZKJ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine (CID 62190498) is 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine is CCc1ccc(-c2nc(N)cc(CC)n2)cc1.
What is the InChIKey of 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
The InChIKey is LYHDPLBOAMUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-10-5-7-11(8-6-10)14-16-12(4-2)9-13(15)17-14/h5-9H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine?
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).