5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one

C15H15ClN2O2 — CID 107925383

IUPAC5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C15H15ClN2O2/c1-15(2)7-10(15)12-17-13(19)11(14(20)18-12)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyQTDMGICGGHXUTB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.31
Rot. Bonds2

About 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 107925383) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID107925383
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C15H15ClN2O2/c1-15(2)7-10(15)12-17-13(19)11(14(20)18-12)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyQTDMGICGGHXUTB-UHFFFAOYSA-N
XLogP3.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 107925383) is 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one is CC1(C)CC1c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QTDMGICGGHXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(2)7-10(15)12-17-13(19)11(14(20)18-12)8-4-3-5-9(16)6-8/h3-6,10H,7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 290.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 107925383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).