8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione

C11H12N2O2 — CID 143796146

IUPAC8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione
SMILESCC1(C)C=CC=c2c(=O)[nH]c(=O)[nH]c2=C1
InChIInChI=1S/C11H12N2O2/c1-11(2)5-3-4-7-8(6-11)12-10(15)13-9(7)14/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyBSRWPCGDSDRUNA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.78
Rot. Bonds

About 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione

8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione (PubChem CID 143796146) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione
PubChem CID143796146
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione
SMILESCC1(C)C=CC=c2c(=O)[nH]c(=O)[nH]c2=C1
InChIInChI=1S/C11H12N2O2/c1-11(2)5-3-4-7-8(6-11)12-10(15)13-9(7)14/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyBSRWPCGDSDRUNA-UHFFFAOYSA-N
XLogP-0.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione?
The IUPAC name of 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione (CID 143796146) is 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione?
The canonical SMILES for 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione is CC1(C)C=CC=c2c(=O)[nH]c(=O)[nH]c2=C1.
What is the InChIKey of 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione?
The InChIKey is BSRWPCGDSDRUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(2)5-3-4-7-8(6-11)12-10(15)13-9(7)14/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione?
8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1H-cyclohepta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 143796146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).