2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one

C12H12ClN3O2 — CID 135459604

IUPAC2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2/c1-7-5-11(17)16-12(14-7)15-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyJSHYRZACZWUDIZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.48
Rot. Bonds3

About 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one

2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459604) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135459604
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2/c1-7-5-11(17)16-12(14-7)15-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyJSHYRZACZWUDIZ-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one (CID 135459604) is 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one is COc1ccc(Cl)cc1Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JSHYRZACZWUDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-5-11(17)16-12(14-7)15-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 265.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).