1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

C19H26N6O — CID 22547538

IUPAC1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)c1
InChIInChI=1S/C19H26N6O/c1-13(26)14-5-4-6-15(11-14)23-18-17(20)19(22-12-21-18)25(3)16-7-9-24(2)10-8-16/h4-6,11-12,16H,7-10,20H2,1-3H3,(H,21,22,23)
InChIKeyYODWFGFWHZILIF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 22547538) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID22547538
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)c1
InChIInChI=1S/C19H26N6O/c1-13(26)14-5-4-6-15(11-14)23-18-17(20)19(22-12-21-18)25(3)16-7-9-24(2)10-8-16/h4-6,11-12,16H,7-10,20H2,1-3H3,(H,21,22,23)
InChIKeyYODWFGFWHZILIF-UHFFFAOYSA-N
XLogP2.54
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

6-N-(3-chloro-4-methylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 22546729
6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
1-[6-(3-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22547552
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19153784
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
1-[3-[[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547542
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
1-[3-[[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547417
1-[3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547393
1-[3-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547532

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone (CID 22547538) is 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2N)c1.
What is the InChIKey of 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is YODWFGFWHZILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13(26)14-5-4-6-15(11-14)23-18-17(20)19(22-12-21-18)25(3)16-7-9-24(2)10-8-16/h4-6,11-12,16H,7-10,20H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 22547538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).