4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine

C13H20N2 — CID 123294210

IUPAC4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
SMILESCC(C)=CC(=C(C)C)C1N=CNC=C1C
InChIInChI=1S/C13H20N2/c1-9(2)6-12(10(3)4)13-11(5)7-14-8-15-13/h6-8,13H,1-5H3,(H,14,15)
InChIKeyBUCAQQGGEYEFHQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.19
Rot. Bonds2

About 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine

4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine (PubChem CID 123294210) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
PubChem CID123294210
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
SMILESCC(C)=CC(=C(C)C)C1N=CNC=C1C
InChIInChI=1S/C13H20N2/c1-9(2)6-12(10(3)4)13-11(5)7-14-8-15-13/h6-8,13H,1-5H3,(H,14,15)
InChIKeyBUCAQQGGEYEFHQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.19
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

2,4-Benzodiazepine
CID 23291061
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
3,7,8,8a-Tetrahydroquinazoline
CID 91192785
7,7a-dihydro-3H-cyclopenta[d]pyrimidine
CID 91250343
3,8a-Dihydroquinazoline
CID 91312252
5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine
CID 118973444
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-dihydropyrimidine
CID 124198945
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
CID 129060116

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine (CID 123294210) is 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine is CC(C)=CC(=C(C)C)C1N=CNC=C1C.
What is the InChIKey of 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine?
The InChIKey is BUCAQQGGEYEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)6-12(10(3)4)13-11(5)7-14-8-15-13/h6-8,13H,1-5H3,(H,14,15).
What are the key properties of 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine?
4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123294210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).