1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone

C18H16N4O — CID 78319452

IUPAC1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(C)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C18H16N4O/c1-12-9-17(21-16-7-3-5-14(10-16)13(2)23)22-18(20-12)15-6-4-8-19-11-15/h3-11H,1-2H3,(H,20,21,22)
InChIKeyIUQUTWUHEGNUIK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.79
Rot. Bonds4

About 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone

1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 78319452) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID78319452
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(C)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C18H16N4O/c1-12-9-17(21-16-7-3-5-14(10-16)13(2)23)22-18(20-12)15-6-4-8-19-11-15/h3-11H,1-2H3,(H,20,21,22)
InChIKeyIUQUTWUHEGNUIK-UHFFFAOYSA-N
XLogP3.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mocetinostat
CID 9865515
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
Jnk-IN-8
CID 57340686
Variolin B
CID 9817550
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
Jnk-IN-7
CID 57340685
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
VX-984
CID 72188357
Cgp-53716
CID 9864718

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone (CID 78319452) is 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(C)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is IUQUTWUHEGNUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-9-17(21-16-7-3-5-14(10-16)13(2)23)22-18(20-12)15-6-4-8-19-11-15/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone?
1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 78319452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).