(2-ethylpyrimidin-4-yl)methanamine

C7H11N3 — CID 45080066

IUPAC(2-ethylpyrimidin-4-yl)methanamine
SMILESCCc1nccc(CN)n1
InChIInChI=1S/C7H11N3/c1-2-7-9-4-3-6(5-8)10-7/h3-4H,2,5,8H2,1H3
InChIKeyUEIRIBHCHQFDDF-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.50
Rot. Bonds2

About (2-ethylpyrimidin-4-yl)methanamine

(2-ethylpyrimidin-4-yl)methanamine (PubChem CID 45080066) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (2-ethylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethylpyrimidin-4-yl)methanamine
PubChem CID45080066
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(2-ethylpyrimidin-4-yl)methanamine
SMILESCCc1nccc(CN)n1
InChIInChI=1S/C7H11N3/c1-2-7-9-4-3-6(5-8)10-7/h3-4H,2,5,8H2,1H3
InChIKeyUEIRIBHCHQFDDF-UHFFFAOYSA-N
XLogP0.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-ethylpyrimidin-4-yl)methanamine (CID 45080066) is (2-ethylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-ethylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-ethylpyrimidin-4-yl)methanamine is CCc1nccc(CN)n1.
What is the InChIKey of (2-ethylpyrimidin-4-yl)methanamine?
The InChIKey is UEIRIBHCHQFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-7-9-4-3-6(5-8)10-7/h3-4H,2,5,8H2,1H3.
What are the key properties of (2-ethylpyrimidin-4-yl)methanamine?
(2-ethylpyrimidin-4-yl)methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 45080066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).