5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one

C11H10ClN3O2 — CID 137025373

IUPAC5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ncccc1-c1nc(C)[nH]c(=O)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-14-9(8(12)10(16)15-6)7-4-3-5-13-11(7)17-2/h3-5H,1-2H3,(H,14,15,16)
InChIKeyFIZUORZARNECIT-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.80
Rot. Bonds2

About 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one

5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137025373) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID137025373
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ncccc1-c1nc(C)[nH]c(=O)c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-6-14-9(8(12)10(16)15-6)7-4-3-5-13-11(7)17-2/h3-5H,1-2H3,(H,14,15,16)
InChIKeyFIZUORZARNECIT-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one (CID 137025373) is 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one is COc1ncccc1-c1nc(C)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FIZUORZARNECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-14-9(8(12)10(16)15-6)7-4-3-5-13-11(7)17-2/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one?
5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 251.67 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137025373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).