[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine

C11H15N5 — CID 83189867

IUPAC[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCCc1nccn1-c1ncc(CN)c(C)n1
InChIInChI=1S/C11H15N5/c1-3-10-13-4-5-16(10)11-14-7-9(6-12)8(2)15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyTVJMQWNOJJZRIZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.99
Rot. Bonds3

About [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine

[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189867) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189867
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCCc1nccn1-c1ncc(CN)c(C)n1
InChIInChI=1S/C11H15N5/c1-3-10-13-4-5-16(10)11-14-7-9(6-12)8(2)15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyTVJMQWNOJJZRIZ-UHFFFAOYSA-N
XLogP0.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine (CID 83189867) is [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine is CCc1nccn1-c1ncc(CN)c(C)n1.
What is the InChIKey of [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is TVJMQWNOJJZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-10-13-4-5-16(10)11-14-7-9(6-12)8(2)15-11/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).