[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine

C14H15N3 — CID 105483157

IUPAC[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ncc(C3CC3)cn2)c1
InChIInChI=1S/C14H15N3/c15-7-10-2-1-3-12(6-10)14-16-8-13(9-17-14)11-4-5-11/h1-3,6,8-9,11H,4-5,7,15H2
InChIKeyMMYYRPYBJLUTHS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.48
Rot. Bonds3

About [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine

[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine (PubChem CID 105483157) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
PubChem CID105483157
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ncc(C3CC3)cn2)c1
InChIInChI=1S/C14H15N3/c15-7-10-2-1-3-12(6-10)14-16-8-13(9-17-14)11-4-5-11/h1-3,6,8-9,11H,4-5,7,15H2
InChIKeyMMYYRPYBJLUTHS-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine?
The IUPAC name of [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine (CID 105483157) is [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine is NCc1cccc(-c2ncc(C3CC3)cn2)c1.
What is the InChIKey of [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine?
The InChIKey is MMYYRPYBJLUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-7-10-2-1-3-12(6-10)14-16-8-13(9-17-14)11-4-5-11/h1-3,6,8-9,11H,4-5,7,15H2.
What are the key properties of [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine?
[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine is sourced from PubChem (CID 105483157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).