2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

C12H13N3O2 — CID 136731230

IUPAC2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ncccc2OC)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-3-10-14-8(7-11(16)15-10)12-9(17-2)5-4-6-13-12/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyHOFRZGHCABSIHK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.40
Rot. Bonds3

About 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136731230) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136731230
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ncccc2OC)cc(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-3-10-14-8(7-11(16)15-10)12-9(17-2)5-4-6-13-12/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyHOFRZGHCABSIHK-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (CID 136731230) is 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is CCc1nc(-c2ncccc2OC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is HOFRZGHCABSIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-10-14-8(7-11(16)15-10)12-9(17-2)5-4-6-13-12/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).