ethane;2-methyl-1,2-dihydropyrimidine

C9H20N2 — CID 144843398

IUPACethane;2-methyl-1,2-dihydropyrimidine
SMILESCC.CC.CC1N=CC=CN1
InChIInChI=1S/C5H8N2.2C2H6/c1-5-6-3-2-4-7-5;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyZFENAOLMVLRPHZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.57
Rot. Bonds

About ethane;2-methyl-1,2-dihydropyrimidine

ethane;2-methyl-1,2-dihydropyrimidine (PubChem CID 144843398) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;2-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-1,2-dihydropyrimidine
PubChem CID144843398
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;2-methyl-1,2-dihydropyrimidine
SMILESCC.CC.CC1N=CC=CN1
InChIInChI=1S/C5H8N2.2C2H6/c1-5-6-3-2-4-7-5;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyZFENAOLMVLRPHZ-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-1,2-dihydropyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,2-dihydropyrimidine?
The IUPAC name of ethane;2-methyl-1,2-dihydropyrimidine (CID 144843398) is ethane;2-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for ethane;2-methyl-1,2-dihydropyrimidine?
The canonical SMILES for ethane;2-methyl-1,2-dihydropyrimidine is CC.CC.CC1N=CC=CN1.
What is the InChIKey of ethane;2-methyl-1,2-dihydropyrimidine?
The InChIKey is ZFENAOLMVLRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2C2H6/c1-5-6-3-2-4-7-5;2*1-2/h2-6H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1,2-dihydropyrimidine?
ethane;2-methyl-1,2-dihydropyrimidine has a molecular weight of 156.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 144843398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).