4-methyl-1,4-dihydropyrimidine

C5H8N2 — CID 55286629

IUPAC4-methyl-1,4-dihydropyrimidine
SMILESCC1C=CNC=N1
InChIInChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h2-5H,1H3,(H,6,7)
InChIKeyXSLOTDQGVQZOLO-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.52
Rot. Bonds

About 4-methyl-1,4-dihydropyrimidine

4-methyl-1,4-dihydropyrimidine (PubChem CID 55286629) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-methyl-1,4-dihydropyrimidine
PubChem CID55286629
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-methyl-1,4-dihydropyrimidine
SMILESCC1C=CNC=N1
InChIInChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h2-5H,1H3,(H,6,7)
InChIKeyXSLOTDQGVQZOLO-UHFFFAOYSA-N
XLogP0.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydropyrimidine?
The IUPAC name of 4-methyl-1,4-dihydropyrimidine (CID 55286629) is 4-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-methyl-1,4-dihydropyrimidine is CC1C=CNC=N1.
What is the InChIKey of 4-methyl-1,4-dihydropyrimidine?
The InChIKey is XSLOTDQGVQZOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h2-5H,1H3,(H,6,7).
What are the key properties of 4-methyl-1,4-dihydropyrimidine?
4-methyl-1,4-dihydropyrimidine has a molecular weight of 96.13 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 55286629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).