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

C13H19N5 — CID 55059469

IUPAC[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCc1nccn1-c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyKVTYSUYFRXJMIS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.81
Rot. Bonds4

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

[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 55059469) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID55059469
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCc1nccn1-c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyKVTYSUYFRXJMIS-UHFFFAOYSA-N
XLogP1.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 55059469) is [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CCc1nccn1-c1cnc(C(C)C)nc1CN.
What is the InChIKey of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is KVTYSUYFRXJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 55059469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).