4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one

C12H13N3O — CID 135454332

IUPAC4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccccc2C)n1
InChIInChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)14-12-13-9(2)7-11(16)15-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeySXRARYNETBUJOI-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.13
Rot. Bonds2

About 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one

4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135454332) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one
PubChem CID135454332
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccccc2C)n1
InChIInChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)14-12-13-9(2)7-11(16)15-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeySXRARYNETBUJOI-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one (CID 135454332) is 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ccccc2C)n1.
What is the InChIKey of 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is SXRARYNETBUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-5-3-4-6-10(8)14-12-13-9(2)7-11(16)15-12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one?
4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135454332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).