1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione

C11H16N2O2 — CID 102513259

IUPAC1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCCC2
InChIInChI=1S/C11H16N2O2/c1-12-9-7-5-3-4-6-8(9)10(14)13(2)11(12)15/h3-7H2,1-2H3
InChIKeyOHBMPRBFSTVMJF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.35
Rot. Bonds

About 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione

1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione (PubChem CID 102513259) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
PubChem CID102513259
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCCC2
InChIInChI=1S/C11H16N2O2/c1-12-9-7-5-3-4-6-8(9)10(14)13(2)11(12)15/h3-7H2,1-2H3
InChIKeyOHBMPRBFSTVMJF-UHFFFAOYSA-N
XLogP0.35
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-1,3-dimethyl-
CID 206369
Uracil, 5-butyl-3,6-dimethyl-
CID 3021746
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772
5-Butyl-6-ethyl-3-methyluracil
CID 3021773
Uracil, 5-butyl-3-methyl-6-propyl-
CID 3021849
Uracil, 3,5-dibutyl-6-methyl-
CID 3021920
3-Butyl-2-hydroxy-6-methyl-5-pentylpyrimidin-4(3H)-one
CID 16205726
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
CID 313557
1,3-Dimethyl-5,6,7,8-tetrahydroquinazoline-2,4(1H,3H)-dione
CID 12705976
1-Bromohexyl-3,6-dimethyluracil
CID 129777925
5-pentyl-6-propyl-1H-pyrimidine-2,4-dione
CID 310011
5,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca[d]pyrimidine-2,4(1H,3H)-dione
CID 535309

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione (CID 102513259) is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CCCCC2.
What is the InChIKey of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione?
The InChIKey is OHBMPRBFSTVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-9-7-5-3-4-6-8(9)10(14)13(2)11(12)15/h3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione?
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 102513259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).