6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione

C14H22N2O2 — CID 21430048

IUPAC6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10(2)12-9-13(17)16(14(18)15-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyCKUWCLSVZJSGIZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.56
Rot. Bonds3

About 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione

6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione (PubChem CID 21430048) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione
PubChem CID21430048
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-3-10(2)12-9-13(17)16(14(18)15-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyCKUWCLSVZJSGIZ-UHFFFAOYSA-N
XLogP2.56
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione (CID 21430048) is 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione is CCC(C)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The InChIKey is CKUWCLSVZJSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10(2)12-9-13(17)16(14(18)15-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione?
6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione has a molecular weight of 250.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-cyclohexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21430048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).