1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone

C16H20N4O — CID 72837859

IUPAC1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2cc(C)cc(C)n2)nc1C
InChIInChI=1S/C16H20N4O/c1-10-6-11(2)18-14(7-10)9-20(5)16-17-8-15(13(4)21)12(3)19-16/h6-8H,9H2,1-5H3
InChIKeyNSYNITUIGYILFB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 72837859) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID72837859
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2cc(C)cc(C)n2)nc1C
InChIInChI=1S/C16H20N4O/c1-10-6-11(2)18-14(7-10)9-20(5)16-17-8-15(13(4)21)12(3)19-16/h6-8H,9H2,1-5H3
InChIKeyNSYNITUIGYILFB-UHFFFAOYSA-N
XLogP2.64
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone (CID 72837859) is 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2cc(C)cc(C)n2)nc1C.
What is the InChIKey of 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is NSYNITUIGYILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-6-11(2)18-14(7-10)9-20(5)16-17-8-15(13(4)21)12(3)19-16/h6-8H,9H2,1-5H3.
What are the key properties of 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 72837859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).