2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H7Cl2N3O2 — CID 79786248

IUPAC2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O2/c1-4-9(16)14-8(15-10(4)17)7-6(12)2-5(11)3-13-7/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyRZOGJDZXZLFRTN-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.15
Rot. Bonds1

About 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 79786248) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID79786248
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O2/c1-4-9(16)14-8(15-10(4)17)7-6(12)2-5(11)3-13-7/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyRZOGJDZXZLFRTN-UHFFFAOYSA-N
XLogP2.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 79786248) is 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2ncc(Cl)cc2Cl)[nH]c1=O.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is RZOGJDZXZLFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-4-9(16)14-8(15-10(4)17)7-6(12)2-5(11)3-13-7/h2-3H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 272.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79786248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).