3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one

C15H12Cl2N4O3 — CID 146345885

IUPAC3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one
SMILESCc1c(O)nc(C)n(-c2ccc(Oc3ccn[nH]3)c(Cl)c2Cl)c1=O
InChIInChI=1S/C15H12Cl2N4O3/c1-7-14(22)19-8(2)21(15(7)23)9-3-4-10(13(17)12(9)16)24-11-5-6-18-20-11/h3-6,22H,1-2H3,(H,18,20)
InChIKeyQQFRMEBPUDGKGR-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.38
Rot. Bonds3

About 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one

3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one (PubChem CID 146345885) has the molecular formula C15H12Cl2N4O3 and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one
PubChem CID146345885
Molecular FormulaC15H12Cl2N4O3
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one
SMILESCc1c(O)nc(C)n(-c2ccc(Oc3ccn[nH]3)c(Cl)c2Cl)c1=O
InChIInChI=1S/C15H12Cl2N4O3/c1-7-14(22)19-8(2)21(15(7)23)9-3-4-10(13(17)12(9)16)24-11-5-6-18-20-11/h3-6,22H,1-2H3,(H,18,20)
InChIKeyQQFRMEBPUDGKGR-UHFFFAOYSA-N
XLogP3.38
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one (CID 146345885) is 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one is Cc1c(O)nc(C)n(-c2ccc(Oc3ccn[nH]3)c(Cl)c2Cl)c1=O.
What is the InChIKey of 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one?
The InChIKey is QQFRMEBPUDGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O3/c1-7-14(22)19-8(2)21(15(7)23)9-3-4-10(13(17)12(9)16)24-11-5-6-18-20-11/h3-6,22H,1-2H3,(H,18,20).
What are the key properties of 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one?
3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one has a molecular weight of 367.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dichloro-4-(1H-pyrazol-5-yloxy)phenyl]-6-hydroxy-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 146345885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).