4-methyl-4,5-dihydropyrimidine

C5H8N2 — CID 23392097

IUPAC4-methyl-4,5-dihydropyrimidine
SMILESCC1CC=NC=N1
InChIInChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h3-5H,2H2,1H3
InChIKeyOSGXLVNFGVPUNQ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds

About 4-methyl-4,5-dihydropyrimidine

4-methyl-4,5-dihydropyrimidine (PubChem CID 23392097) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-methyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name4-methyl-4,5-dihydropyrimidine
PubChem CID23392097
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name4-methyl-4,5-dihydropyrimidine
SMILESCC1CC=NC=N1
InChIInChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h3-5H,2H2,1H3
InChIKeyOSGXLVNFGVPUNQ-UHFFFAOYSA-N
XLogP0.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydropyrimidine?
The IUPAC name of 4-methyl-4,5-dihydropyrimidine (CID 23392097) is 4-methyl-4,5-dihydropyrimidine.
What is the SMILES notation for 4-methyl-4,5-dihydropyrimidine?
The canonical SMILES for 4-methyl-4,5-dihydropyrimidine is CC1CC=NC=N1.
What is the InChIKey of 4-methyl-4,5-dihydropyrimidine?
The InChIKey is OSGXLVNFGVPUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h3-5H,2H2,1H3.
What are the key properties of 4-methyl-4,5-dihydropyrimidine?
4-methyl-4,5-dihydropyrimidine has a molecular weight of 96.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydropyrimidine is sourced from PubChem (CID 23392097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).