5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine

C9H14N2 — CID 123831511

IUPAC5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
SMILESCC/C=C\C1=CNC=NC1C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-8H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyDJDJHZFPUUACHT-PLNGDYQASA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine

5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine (PubChem CID 123831511) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
PubChem CID123831511
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
SMILESCC/C=C\C1=CNC=NC1C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-8H,3H2,1-2H3,(H,10,11)/b5-4-
InChIKeyDJDJHZFPUUACHT-PLNGDYQASA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine 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

2,4-Benzodiazepine
CID 23291061
[2,4]Benzodiazepine hydrobromide
CID 129792269
N'-[(1E,4Z)-1-(2-fluoroethylamino)-2-methylhexa-1,4-dien-3-yl]methanimidamide
CID 90453933
6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
CID 153370422
1H-Cyclohepta[d]pyrimidine
CID 45080488
4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 57235119
(E)-4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 69536246
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5-Bromo-4-(2,5-dimethylhexa-2,4-dien-3-yl)-1,4-dihydropyrimidine
CID 89750437
N'-[(1E,4Z)-2-methyl-1-(methylamino)hexa-1,4-dien-3-yl]methanimidamide
CID 90452774
3,5,8,8a-Tetrahydroquinazoline
CID 90943814
3,7,8,8a-Tetrahydroquinazoline
CID 91192785

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine (CID 123831511) is 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine is CC/C=C\C1=CNC=NC1C.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine?
The InChIKey is DJDJHZFPUUACHT-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-8H,3H2,1-2H3,(H,10,11)/b5-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine?
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123831511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).