5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one

C10H9ClN4O — CID 171660954

IUPAC5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one
SMILESCn1cc(-c2nc(N)ncc2Cl)ccc1=O
InChIInChI=1S/C10H9ClN4O/c1-15-5-6(2-3-8(15)16)9-7(11)4-13-10(12)14-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyJLOKKAAYCORFFL-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.08
Rot. Bonds1

About 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one

5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one (PubChem CID 171660954) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one
PubChem CID171660954
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one
SMILESCn1cc(-c2nc(N)ncc2Cl)ccc1=O
InChIInChI=1S/C10H9ClN4O/c1-15-5-6(2-3-8(15)16)9-7(11)4-13-10(12)14-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyJLOKKAAYCORFFL-UHFFFAOYSA-N
XLogP1.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one?
The IUPAC name of 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one (CID 171660954) is 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one is Cn1cc(-c2nc(N)ncc2Cl)ccc1=O.
What is the InChIKey of 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one?
The InChIKey is JLOKKAAYCORFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-15-5-6(2-3-8(15)16)9-7(11)4-13-10(12)14-9/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one?
5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one has a molecular weight of 236.66 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-chloropyrimidin-4-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 171660954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).