2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine

C15H17N3 — CID 79980530

IUPAC2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C15H17N3/c1-2-16-14-9-10-17-15(18-14)13-7-5-12(6-8-13)11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17,18)
InChIKeyODGAVTRJRWSUCA-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine

2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 79980530) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
PubChem CID79980530
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C15H17N3/c1-2-16-14-9-10-17-15(18-14)13-7-5-12(6-8-13)11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17,18)
InChIKeyODGAVTRJRWSUCA-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine (CID 79980530) is 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2ccc(C3CC3)cc2)n1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is ODGAVTRJRWSUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-16-14-9-10-17-15(18-14)13-7-5-12(6-8-13)11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 79980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).