5-but-2-en-2-yl-2-methoxypyrimidine

C9H12N2O — CID 123796813

IUPAC5-but-2-en-2-yl-2-methoxypyrimidine
SMILESCC=C(C)c1cnc(OC)nc1
InChIInChI=1S/C9H12N2O/c1-4-7(2)8-5-10-9(12-3)11-6-8/h4-6H,1-3H3
InChIKeyIRBRSEBRMWDLNY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.91
Rot. Bonds2

About 5-but-2-en-2-yl-2-methoxypyrimidine

5-but-2-en-2-yl-2-methoxypyrimidine (PubChem CID 123796813) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-but-2-en-2-yl-2-methoxypyrimidine.

Molecular Properties

Compound Name5-but-2-en-2-yl-2-methoxypyrimidine
PubChem CID123796813
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-but-2-en-2-yl-2-methoxypyrimidine
SMILESCC=C(C)c1cnc(OC)nc1
InChIInChI=1S/C9H12N2O/c1-4-7(2)8-5-10-9(12-3)11-6-8/h4-6H,1-3H3
InChIKeyIRBRSEBRMWDLNY-UHFFFAOYSA-N
XLogP1.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-but-2-en-2-yl-2-methoxypyrimidine 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

2-[(2E,4E,6E)-7-[2-(dimethylamino)pyrimidin-5-yl]hepta-2,4,6-trienylidene]propanedinitrile
CID 168296445
5-Ethenyl-2-methoxypyrimidine
CID 14148917
2-(2-Methoxypyrimidin-5-yl)ethan-1-amine
CID 53350343
2-Chloro-5-(prop-1-en-2-yl)pyrimidine
CID 58485316
5-Ethylpyrimidine
CID 14434921
7H-pyrimido[4,5-b]azepine
CID 54228713
Cyclohepta[d]pyrimidine
CID 91488165
Methyl[4-(pyrimidin-5-yl)but-3-en-1-yl]amine
CID 15860334
5-(6-Fluorocyclohexa-1,5-dien-1-yl)pyrimidine
CID 89138369
5-But-2-en-2-yl-2-(trifluoromethyl)pyrimidine
CID 123212748
(2Z,3Z)-5-fluoro-2-(1-pyrimidin-5-ylethylidene)hexa-3,5-dienal
CID 134179822
5-ethyl-N-[(3Z,5E)-6-fluoro-2-methylidenehepta-3,5-dienyl]pyrimidin-2-amine
CID 134502427

Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-2-methoxypyrimidine?
The IUPAC name of 5-but-2-en-2-yl-2-methoxypyrimidine (CID 123796813) is 5-but-2-en-2-yl-2-methoxypyrimidine.
What is the SMILES notation for 5-but-2-en-2-yl-2-methoxypyrimidine?
The canonical SMILES for 5-but-2-en-2-yl-2-methoxypyrimidine is CC=C(C)c1cnc(OC)nc1.
What is the InChIKey of 5-but-2-en-2-yl-2-methoxypyrimidine?
The InChIKey is IRBRSEBRMWDLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7(2)8-5-10-9(12-3)11-6-8/h4-6H,1-3H3.
What are the key properties of 5-but-2-en-2-yl-2-methoxypyrimidine?
5-but-2-en-2-yl-2-methoxypyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-2-methoxypyrimidine is sourced from PubChem (CID 123796813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).