2-methyl-4,5-dihydropyrimidine

C5H8N2 — CID 68626206

IUPAC2-methyl-4,5-dihydropyrimidine
SMILESCC1=NCCC=N1
InChIInChI=1S/C5H8N2/c1-5-6-3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyFFEQSOGLWANTMB-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds

About 2-methyl-4,5-dihydropyrimidine

2-methyl-4,5-dihydropyrimidine (PubChem CID 68626206) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-4,5-dihydropyrimidine
PubChem CID68626206
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-methyl-4,5-dihydropyrimidine
SMILESCC1=NCCC=N1
InChIInChI=1S/C5H8N2/c1-5-6-3-2-4-7-5/h3H,2,4H2,1H3
InChIKeyFFEQSOGLWANTMB-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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Related Compounds

5,6-Dihydropyrimidine
CID 21336453
Dimethyl 4h imidazole
CID 57536289
Diiminodipropylamine
CID 123307968
(4S)-5-fluoro-2,4-dimethyl-4,5-dihydropyrimidine
CID 173760734
N-butylidene-N'-methylbutanimidamide
CID 256498
N-ethylidene-N'-methylmethanimidamide
CID 18734704
2-ethyl-4H-imidazole
CID 20725723
4-Methyl-4,5-dihydropyrimidine
CID 23392097
2,4-Dimethyl-4,5-dihydropyrimidine
CID 53434157
N-ethylidene-N'-methyl-2-methyliminoethanimidamide
CID 53774056
2,2-dimethyl-5H-pyrimidine
CID 54000526
2,4-Dimethylimidazol-4-ylium
CID 57023094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydropyrimidine?
The IUPAC name of 2-methyl-4,5-dihydropyrimidine (CID 68626206) is 2-methyl-4,5-dihydropyrimidine.
What is the SMILES notation for 2-methyl-4,5-dihydropyrimidine?
The canonical SMILES for 2-methyl-4,5-dihydropyrimidine is CC1=NCCC=N1.
What is the InChIKey of 2-methyl-4,5-dihydropyrimidine?
The InChIKey is FFEQSOGLWANTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-6-3-2-4-7-5/h3H,2,4H2,1H3.
What are the key properties of 2-methyl-4,5-dihydropyrimidine?
2-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 2-methyl-4,5-dihydropyrimidine is sourced from PubChem (CID 68626206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).