1-(cyclohexylmethyl)pyrimidine-2,4-dione

C11H16N2O2 — CID 63812367

IUPAC1-(cyclohexylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,14,15)
InChIKeyDZHFVCKKTVINNG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrimidine-2,4-dione

1-(cyclohexylmethyl)pyrimidine-2,4-dione (PubChem CID 63812367) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrimidine-2,4-dione
PubChem CID63812367
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(cyclohexylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,14,15)
InChIKeyDZHFVCKKTVINNG-UHFFFAOYSA-N
XLogP1.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(cyclohexylmethyl)pyrimidine-2,4-dione (CID 63812367) is 1-(cyclohexylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclohexylmethyl)pyrimidine-2,4-dione is O=c1ccn(CC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrimidine-2,4-dione?
The InChIKey is DZHFVCKKTVINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,14,15).
What are the key properties of 1-(cyclohexylmethyl)pyrimidine-2,4-dione?
1-(cyclohexylmethyl)pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).