(2-cyclopropylpyrimidin-4-yl)methanamine

C8H11N3 — CID 62747549

IUPAC(2-cyclopropylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(C2CC2)n1
InChIInChI=1S/C8H11N3/c9-5-7-3-4-10-8(11-7)6-1-2-6/h3-4,6H,1-2,5,9H2
InChIKeyKUXJWTUSXJJOLO-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.81
Rot. Bonds2

About (2-cyclopropylpyrimidin-4-yl)methanamine

(2-cyclopropylpyrimidin-4-yl)methanamine (PubChem CID 62747549) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)methanamine
PubChem CID62747549
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(2-cyclopropylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(C2CC2)n1
InChIInChI=1S/C8H11N3/c9-5-7-3-4-10-8(11-7)6-1-2-6/h3-4,6H,1-2,5,9H2
InChIKeyKUXJWTUSXJJOLO-UHFFFAOYSA-N
XLogP0.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)methanamine (CID 62747549) is (2-cyclopropylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)methanamine is NCc1ccnc(C2CC2)n1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)methanamine?
The InChIKey is KUXJWTUSXJJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-5-7-3-4-10-8(11-7)6-1-2-6/h3-4,6H,1-2,5,9H2.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)methanamine?
(2-cyclopropylpyrimidin-4-yl)methanamine has a molecular weight of 149.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 62747549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).