2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone

C14H15N3O — CID 64831288

IUPAC2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone
SMILESCN(C)c1nccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-17(2)14-15-9-8-12(16-14)10-13(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyWXUAHFHATGJDMV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone

2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone (PubChem CID 64831288) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone
PubChem CID64831288
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone
SMILESCN(C)c1nccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-17(2)14-15-9-8-12(16-14)10-13(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyWXUAHFHATGJDMV-UHFFFAOYSA-N
XLogP1.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone (CID 64831288) is 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone is CN(C)c1nccc(CC(=O)c2ccccc2)n1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone?
The InChIKey is WXUAHFHATGJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(2)14-15-9-8-12(16-14)10-13(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone?
2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone has a molecular weight of 241.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone is sourced from PubChem (CID 64831288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).