2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C19H22Cl2N2O2 — CID 44513790

IUPAC2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,12-6-4-3-5-7-12)18-22-16(24)15(17(25)23-18)11-8-13(20)10-14(21)9-11/h8-10,12H,3-7H2,1-2H3,(H2,22,23,24,25)
InChIKeyWFVINGNHWOTDCY-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.31
Rot. Bonds3

About 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 44513790) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID44513790
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,12-6-4-3-5-7-12)18-22-16(24)15(17(25)23-18)11-8-13(20)10-14(21)9-11/h8-10,12H,3-7H2,1-2H3,(H2,22,23,24,25)
InChIKeyWFVINGNHWOTDCY-UHFFFAOYSA-N
XLogP5.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 44513790) is 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(C)(c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WFVINGNHWOTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-19(2,12-6-4-3-5-7-12)18-22-16(24)15(17(25)23-18)11-8-13(20)10-14(21)9-11/h8-10,12H,3-7H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 381.30 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpropan-2-yl)-5-(3,5-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 44513790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).