3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one

C12H13N3O — CID 177200077

IUPAC3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one
SMILESCC(C)c1cccn(-c2cncnc2)c1=O
InChIInChI=1S/C12H13N3O/c1-9(2)11-4-3-5-15(12(11)16)10-6-13-8-14-7-10/h3-9H,1-2H3
InChIKeyBUWHEMLRRRJKPP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.75
Rot. Bonds2

About 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one

3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one (PubChem CID 177200077) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one
PubChem CID177200077
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one
SMILESCC(C)c1cccn(-c2cncnc2)c1=O
InChIInChI=1S/C12H13N3O/c1-9(2)11-4-3-5-15(12(11)16)10-6-13-8-14-7-10/h3-9H,1-2H3
InChIKeyBUWHEMLRRRJKPP-UHFFFAOYSA-N
XLogP1.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one?
The IUPAC name of 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one (CID 177200077) is 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one is CC(C)c1cccn(-c2cncnc2)c1=O.
What is the InChIKey of 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one?
The InChIKey is BUWHEMLRRRJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(2)11-4-3-5-15(12(11)16)10-6-13-8-14-7-10/h3-9H,1-2H3.
What are the key properties of 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one?
3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-pyrimidin-5-ylpyridin-2-one is sourced from PubChem (CID 177200077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).