6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine

C10H14N2 — CID 123490451

IUPAC6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
SMILESC=CC=CC1=CC(C)N=C(C)N1
InChIInChI=1S/C10H14N2/c1-4-5-6-10-7-8(2)11-9(3)12-10/h4-8H,1H2,2-3H3,(H,11,12)
InChIKeyALXRJOFIIJHHCD-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine

6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine (PubChem CID 123490451) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
PubChem CID123490451
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
SMILESC=CC=CC1=CC(C)N=C(C)N1
InChIInChI=1S/C10H14N2/c1-4-5-6-10-7-8(2)11-9(3)12-10/h4-8H,1H2,2-3H3,(H,11,12)
InChIKeyALXRJOFIIJHHCD-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
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

InChI=1/C8H14N2/c1-6-5-8(3,4)10-7(2)9-6/h5H,1-4H3,(H,9,10
CID 13526003
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
2,4,6-Trimethyl-1,4-dihydropyrimidine
CID 68611629
N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
CID 70875519
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
8-Methyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 123430510

Frequently Asked Questions

What is the IUPAC name of 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine?
The IUPAC name of 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine (CID 123490451) is 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine is C=CC=CC1=CC(C)N=C(C)N1.
What is the InChIKey of 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine?
The InChIKey is ALXRJOFIIJHHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-5-6-10-7-8(2)11-9(3)12-10/h4-8H,1H2,2-3H3,(H,11,12).
What are the key properties of 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine?
6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123490451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).