2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one

C14H17N3O — CID 135633218

IUPAC2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc(C)c(C)c(=O)[nH]2)c1C
InChIInChI=1S/C14H17N3O/c1-8-6-5-7-12(9(8)2)16-14-15-11(4)10(3)13(18)17-14/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyPCUVEMROLUFQBC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.75
Rot. Bonds2

About 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one

2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135633218) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135633218
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc(C)c(C)c(=O)[nH]2)c1C
InChIInChI=1S/C14H17N3O/c1-8-6-5-7-12(9(8)2)16-14-15-11(4)10(3)13(18)17-14/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyPCUVEMROLUFQBC-UHFFFAOYSA-N
XLogP2.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one (CID 135633218) is 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1cccc(Nc2nc(C)c(C)c(=O)[nH]2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PCUVEMROLUFQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-6-5-7-12(9(8)2)16-14-15-11(4)10(3)13(18)17-14/h5-7H,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135633218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).