5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione

C13H20N2O2 — CID 15673462

IUPAC5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-9-11(12(16)15(2)13(14)17)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyAKZWGOJIOXCECW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.21
Rot. Bonds2

About 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione

5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 15673462) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID15673462
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N2O2/c1-14-9-11(12(16)15(2)13(14)17)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyAKZWGOJIOXCECW-UHFFFAOYSA-N
XLogP1.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 15673462) is 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AKZWGOJIOXCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-9-11(12(16)15(2)13(14)17)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15673462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).