3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide

C10H12N4O3 — CID 14882688

IUPAC3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1[nH]c2c(C(N)=O)ncn2c(=O)c1CCO
InChIInChI=1S/C10H12N4O3/c1-5-6(2-3-15)10(17)14-4-12-7(8(11)16)9(14)13-5/h4,13,15H,2-3H2,1H3,(H2,11,16)
InChIKeyWFCHIBMOCLRYAK-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.04
Rot. Bonds3

About 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide

3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 14882688) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID14882688
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1[nH]c2c(C(N)=O)ncn2c(=O)c1CCO
InChIInChI=1S/C10H12N4O3/c1-5-6(2-3-15)10(17)14-4-12-7(8(11)16)9(14)13-5/h4,13,15H,2-3H2,1H3,(H2,11,16)
InChIKeyWFCHIBMOCLRYAK-UHFFFAOYSA-N
XLogP-1.04
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide (CID 14882688) is 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1[nH]c2c(C(N)=O)ncn2c(=O)c1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is WFCHIBMOCLRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-6(2-3-15)10(17)14-4-12-7(8(11)16)9(14)13-5/h4,13,15H,2-3H2,1H3,(H2,11,16).
What are the key properties of 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 14882688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).