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

C15H17N3 — CID 63354241

IUPAC6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccccc1-c1nc(N)cc(C2CC2)n1
InChIInChI=1S/C15H17N3/c1-2-10-5-3-4-6-12(10)15-17-13(11-7-8-11)9-14(16)18-15/h3-6,9,11H,2,7-8H2,1H3,(H2,16,17,18)
InChIKeyYIIUSWXAKILNQX-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.17
Rot. Bonds3

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

6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine (PubChem CID 63354241) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
PubChem CID63354241
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccccc1-c1nc(N)cc(C2CC2)n1
InChIInChI=1S/C15H17N3/c1-2-10-5-3-4-6-12(10)15-17-13(11-7-8-11)9-14(16)18-15/h3-6,9,11H,2,7-8H2,1H3,(H2,16,17,18)
InChIKeyYIIUSWXAKILNQX-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine (CID 63354241) is 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine is CCc1ccccc1-c1nc(N)cc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The InChIKey is YIIUSWXAKILNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-10-5-3-4-6-12(10)15-17-13(11-7-8-11)9-14(16)18-15/h3-6,9,11H,2,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine?
6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63354241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).