2-methoxy-4,5-dihydropyrimidine

C5H8N2O — CID 57062158

IUPAC2-methoxy-4,5-dihydropyrimidine
SMILESCOC1=NCCC=N1
InChIInChI=1S/C5H8N2O/c1-8-5-6-3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyAOXLZKUGWIEXFQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.46
Rot. Bonds

About 2-methoxy-4,5-dihydropyrimidine

2-methoxy-4,5-dihydropyrimidine (PubChem CID 57062158) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methoxy-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-methoxy-4,5-dihydropyrimidine
PubChem CID57062158
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methoxy-4,5-dihydropyrimidine
SMILESCOC1=NCCC=N1
InChIInChI=1S/C5H8N2O/c1-8-5-6-3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyAOXLZKUGWIEXFQ-UHFFFAOYSA-N
XLogP0.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dihydropyrimidine?
The IUPAC name of 2-methoxy-4,5-dihydropyrimidine (CID 57062158) is 2-methoxy-4,5-dihydropyrimidine.
What is the SMILES notation for 2-methoxy-4,5-dihydropyrimidine?
The canonical SMILES for 2-methoxy-4,5-dihydropyrimidine is COC1=NCCC=N1.
What is the InChIKey of 2-methoxy-4,5-dihydropyrimidine?
The InChIKey is AOXLZKUGWIEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-8-5-6-3-2-4-7-5/h3H,2,4H2,1H3.
What are the key properties of 2-methoxy-4,5-dihydropyrimidine?
2-methoxy-4,5-dihydropyrimidine has a molecular weight of 112.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dihydropyrimidine is sourced from PubChem (CID 57062158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).