1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione

C11H12N2O2 — CID 145128453

IUPAC1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1C1=CCCC=C1
InChIInChI=1S/C11H12N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,14,15)
InChIKeySIZOFVXSIHOBQL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.04
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione

1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione (PubChem CID 145128453) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione
PubChem CID145128453
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1C1=CCCC=C1
InChIInChI=1S/C11H12N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,14,15)
InChIKeySIZOFVXSIHOBQL-UHFFFAOYSA-N
XLogP1.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 246001
6-n-Propyluracil
CID 96188
6-Allylpyrimidine-2,4(1H,3H)-dione
CID 70629140
6-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 44361839
6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 44362083
3-(3-amino-4-methylbenzene-6-id-1-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;yttrium
CID 58858647
7-Fluoro-5,8-dimethylpyrido[1,2-c]pyrimidine-1,3-dione
CID 69937821
3-prop-2-enyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075434
N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide
CID 22228276
benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium
CID 59873181
2,9a-dimethyl-1H-pyrido[1,2-a]pyrimidin-4-one
CID 67611013
6-prop-1-enyl-1H-pyrimidine-2,4-dione
CID 88977058

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione (CID 145128453) is 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione?
The InChIKey is SIZOFVXSIHOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,14,15).
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione?
1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 145128453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).