4,6-dimethyl-1,4-dihydropyrimidine;ethane

C8H16N2 — CID 144939817

IUPAC4,6-dimethyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=CC(C)N=CN1
InChIInChI=1S/C6H10N2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3-5H,1-2H3,(H,7,8);1-2H3
InChIKeyWAXOTVFXXVGNMD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds

About 4,6-dimethyl-1,4-dihydropyrimidine;ethane

4,6-dimethyl-1,4-dihydropyrimidine;ethane (PubChem CID 144939817) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,6-dimethyl-1,4-dihydropyrimidine;ethane.

Molecular Properties

Compound Name4,6-dimethyl-1,4-dihydropyrimidine;ethane
PubChem CID144939817
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,6-dimethyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=CC(C)N=CN1
InChIInChI=1S/C6H10N2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3-5H,1-2H3,(H,7,8);1-2H3
InChIKeyWAXOTVFXXVGNMD-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-1,4-dihydropyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dimethyl-6-chloropyrimidine
CID 129797647
InChI=1/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9
CID 5324921
6-Methyl-1,4-dihydropyrimidine
CID 19748724
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
CID 123195959

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,4-dihydropyrimidine;ethane?
The IUPAC name of 4,6-dimethyl-1,4-dihydropyrimidine;ethane (CID 144939817) is 4,6-dimethyl-1,4-dihydropyrimidine;ethane.
What is the SMILES notation for 4,6-dimethyl-1,4-dihydropyrimidine;ethane?
The canonical SMILES for 4,6-dimethyl-1,4-dihydropyrimidine;ethane is CC.CC1=CC(C)N=CN1.
What is the InChIKey of 4,6-dimethyl-1,4-dihydropyrimidine;ethane?
The InChIKey is WAXOTVFXXVGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-5-3-6(2)8-4-7-5;1-2/h3-5H,1-2H3,(H,7,8);1-2H3.
What are the key properties of 4,6-dimethyl-1,4-dihydropyrimidine;ethane?
4,6-dimethyl-1,4-dihydropyrimidine;ethane has a molecular weight of 140.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,4-dihydropyrimidine;ethane is sourced from PubChem (CID 144939817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).