5-methyl-1,4-dihydropyrimidine

C5H8N2 — CID 57014191

IUPAC5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC=NC1
InChIInChI=1S/C5H8N2/c1-5-2-6-4-7-3-5/h2,4H,3H2,1H3,(H,6,7)
InChIKeyICPMWPAGOYTRRL-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.52
Rot. Bonds

About 5-methyl-1,4-dihydropyrimidine

5-methyl-1,4-dihydropyrimidine (PubChem CID 57014191) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-methyl-1,4-dihydropyrimidine
PubChem CID57014191
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC=NC1
InChIInChI=1S/C5H8N2/c1-5-2-6-4-7-3-5/h2,4H,3H2,1H3,(H,6,7)
InChIKeyICPMWPAGOYTRRL-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 5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-methyl-1,4-dihydropyrimidine (CID 57014191) is 5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-methyl-1,4-dihydropyrimidine is CC1=CNC=NC1.
What is the InChIKey of 5-methyl-1,4-dihydropyrimidine?
The InChIKey is ICPMWPAGOYTRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-2-6-4-7-3-5/h2,4H,3H2,1H3,(H,6,7).
What are the key properties of 5-methyl-1,4-dihydropyrimidine?
5-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 5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 57014191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).