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

C12H13N3O — CID 135592196

IUPAC4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(C)c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-8-11(16)14-12(13-9)15(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyZQTCEIXRXOGBPQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.85
Rot. Bonds2

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

4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135592196) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
PubChem CID135592196
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(C)c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-9-8-11(16)14-12(13-9)15(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyZQTCEIXRXOGBPQ-UHFFFAOYSA-N
XLogP1.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one (CID 135592196) is 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N(C)c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is ZQTCEIXRXOGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-8-11(16)14-12(13-9)15(2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one?
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).