5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione

C11H16N2O3 — CID 102078521

IUPAC5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(O)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15/h6-7,9,14H,1-5H2,(H2,12,13,15,16)
InChIKeyDTDXEQSZSJOBBO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.68
Rot. Bonds2

About 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione

5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 102078521) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione
PubChem CID102078521
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(O)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15/h6-7,9,14H,1-5H2,(H2,12,13,15,16)
InChIKeyDTDXEQSZSJOBBO-UHFFFAOYSA-N
XLogP0.68
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione (CID 102078521) is 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(O)C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DTDXEQSZSJOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9(7-4-2-1-3-5-7)8-6-12-11(16)13-10(8)15/h6-7,9,14H,1-5H2,(H2,12,13,15,16).
What are the key properties of 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione?
5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(hydroxy)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102078521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).