5-methoxy-1,2-dihydropyrimidine

C5H8N2O — CID 19045882

IUPAC5-methoxy-1,2-dihydropyrimidine
SMILESCOC1=CNCN=C1
InChIInChI=1S/C5H8N2O/c1-8-5-2-6-4-7-3-5/h2-3,6H,4H2,1H3
InChIKeyKFEDUVAMQQCVOF-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.11
Rot. Bonds1

About 5-methoxy-1,2-dihydropyrimidine

5-methoxy-1,2-dihydropyrimidine (PubChem CID 19045882) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methoxy-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-methoxy-1,2-dihydropyrimidine
PubChem CID19045882
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methoxy-1,2-dihydropyrimidine
SMILESCOC1=CNCN=C1
InChIInChI=1S/C5H8N2O/c1-8-5-2-6-4-7-3-5/h2-3,6H,4H2,1H3
InChIKeyKFEDUVAMQQCVOF-UHFFFAOYSA-N
XLogP0.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1,2-dihydropyrimidine 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-methoxy-1,2-dihydropyrimidine?
The IUPAC name of 5-methoxy-1,2-dihydropyrimidine (CID 19045882) is 5-methoxy-1,2-dihydropyrimidine.
What is the SMILES notation for 5-methoxy-1,2-dihydropyrimidine?
The canonical SMILES for 5-methoxy-1,2-dihydropyrimidine is COC1=CNCN=C1.
What is the InChIKey of 5-methoxy-1,2-dihydropyrimidine?
The InChIKey is KFEDUVAMQQCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-8-5-2-6-4-7-3-5/h2-3,6H,4H2,1H3.
What are the key properties of 5-methoxy-1,2-dihydropyrimidine?
5-methoxy-1,2-dihydropyrimidine has a molecular weight of 112.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dihydropyrimidine is sourced from PubChem (CID 19045882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).