1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione

C15H14N4O3 — CID 160557487

IUPAC1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione
SMILESO=C1CN=CN(c2cc(C3CC3)cn3cc(CO)nc23)C1=O
InChIInChI=1S/C15H14N4O3/c20-7-11-6-18-5-10(9-1-2-9)3-12(14(18)17-11)19-8-16-4-13(21)15(19)22/h3,5-6,8-9,20H,1-2,4,7H2
InChIKeyAVAWZNGJFQBTNI-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.65
Rot. Bonds3

About 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione

1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione (PubChem CID 160557487) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione
PubChem CID160557487
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione
SMILESO=C1CN=CN(c2cc(C3CC3)cn3cc(CO)nc23)C1=O
InChIInChI=1S/C15H14N4O3/c20-7-11-6-18-5-10(9-1-2-9)3-12(14(18)17-11)19-8-16-4-13(21)15(19)22/h3,5-6,8-9,20H,1-2,4,7H2
InChIKeyAVAWZNGJFQBTNI-UHFFFAOYSA-N
XLogP0.65
TPSA87.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione 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 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione?
The IUPAC name of 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione (CID 160557487) is 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione is O=C1CN=CN(c2cc(C3CC3)cn3cc(CO)nc23)C1=O.
What is the InChIKey of 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione?
The InChIKey is AVAWZNGJFQBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-7-11-6-18-5-10(9-1-2-9)3-12(14(18)17-11)19-8-16-4-13(21)15(19)22/h3,5-6,8-9,20H,1-2,4,7H2.
What are the key properties of 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione?
1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione has a molecular weight of 298.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione is sourced from PubChem (CID 160557487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).