5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine

C9H12N2 — CID 143436370

IUPAC5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
SMILESC=C/C=C\C1=CNC(C)=NC1
InChIInChI=1S/C9H12N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-6H,1,7H2,2H3,(H,10,11)/b5-4-
InChIKeyQEZGKLMCYPRDLQ-PLNGDYQASA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine

5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine (PubChem CID 143436370) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
PubChem CID143436370
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
SMILESC=C/C=C\C1=CNC(C)=NC1
InChIInChI=1S/C9H12N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-6H,1,7H2,2H3,(H,10,11)/b5-4-
InChIKeyQEZGKLMCYPRDLQ-PLNGDYQASA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
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
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
CID 123457912
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
(5Z,6E)-5-(dimethylaminomethylidene)-6-ethylidenepyridin-2-amine
CID 129301168
(3Z)-5-amino-N,N',6-trimethylhepta-3,5-dienimidamide
CID 130372082
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine (CID 143436370) is 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine is C=C/C=C\C1=CNC(C)=NC1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine?
The InChIKey is QEZGKLMCYPRDLQ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-9-6-10-8(2)11-7-9/h3-6H,1,7H2,2H3,(H,10,11)/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine?
5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 143436370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).