3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile

C12H15N3O2 — CID 13320962

IUPAC3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCn1cc(C#N)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-8-9(7-13)11(16)15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-6H2,1H3
InChIKeyDWNUVIXNSHDTNO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.92
Rot. Bonds1

About 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile

3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 13320962) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID13320962
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCn1cc(C#N)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-8-9(7-13)11(16)15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-6H2,1H3
InChIKeyDWNUVIXNSHDTNO-UHFFFAOYSA-N
XLogP0.92
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile (CID 13320962) is 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile is Cn1cc(C#N)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is DWNUVIXNSHDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-8-9(7-13)11(16)15(12(14)17)10-5-3-2-4-6-10/h8,10H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile?
3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 13320962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).