6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C22H30N2O4 — CID 129010126

IUPAC6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(CC2CCCCC2)n(COCc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C22H30N2O4/c1-16(2)20-19(13-17-9-5-3-6-10-17)23(22(26)24(27)21(20)25)15-28-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,27H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyROZLWEMOPMWULZ-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.67
Rot. Bonds7

About 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 129010126) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID129010126
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(CC2CCCCC2)n(COCc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C22H30N2O4/c1-16(2)20-19(13-17-9-5-3-6-10-17)23(22(26)24(27)21(20)25)15-28-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,27H,3,5-6,9-10,13-15H2,1-2H3
InChIKeyROZLWEMOPMWULZ-UHFFFAOYSA-N
XLogP3.67
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 129010126) is 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(CC2CCCCC2)n(COCc2ccccc2)c(=O)n(O)c1=O.
What is the InChIKey of 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ROZLWEMOPMWULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-16(2)20-19(13-17-9-5-3-6-10-17)23(22(26)24(27)21(20)25)15-28-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,27H,3,5-6,9-10,13-15H2,1-2H3.
What are the key properties of 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 386.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-3-hydroxy-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 129010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).