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

C11H11N3O — CID 824717

IUPAC2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCN(c1ccccc1)c1nccc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-14(9-5-3-2-4-6-9)11-12-8-7-10(15)13-11/h2-8H,1H3,(H,12,13,15)
InChIKeyDZLRLEPQYCKYDI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.54
Rot. Bonds2

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

2-(N-methylanilino)-1H-pyrimidin-6-one (PubChem CID 824717) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(N-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(N-methylanilino)-1H-pyrimidin-6-one
PubChem CID824717
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCN(c1ccccc1)c1nccc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-14(9-5-3-2-4-6-9)11-12-8-7-10(15)13-11/h2-8H,1H3,(H,12,13,15)
InChIKeyDZLRLEPQYCKYDI-UHFFFAOYSA-N
XLogP1.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(N-methylanilino)-1H-pyrimidin-6-one (CID 824717) is 2-(N-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(N-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(N-methylanilino)-1H-pyrimidin-6-one is CN(c1ccccc1)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(N-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is DZLRLEPQYCKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14(9-5-3-2-4-6-9)11-12-8-7-10(15)13-11/h2-8H,1H3,(H,12,13,15).
What are the key properties of 2-(N-methylanilino)-1H-pyrimidin-6-one?
2-(N-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 824717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).