1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone

C22H20N4O2 — CID 86728658

IUPAC1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
SMILESCOc1cc(C)nc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-14-12-19(28-2)25-22(24-14)26-20(15-8-4-3-5-9-15)21(27)17-13-23-18-11-7-6-10-16(17)18/h3-13,20,23H,1-2H3,(H,24,25,26)
InChIKeyWSEBWMCEZUBYDJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.31
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone (PubChem CID 86728658) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
PubChem CID86728658
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
SMILESCOc1cc(C)nc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C22H20N4O2/c1-14-12-19(28-2)25-22(24-14)26-20(15-8-4-3-5-9-15)21(27)17-13-23-18-11-7-6-10-16(17)18/h3-13,20,23H,1-2H3,(H,24,25,26)
InChIKeyWSEBWMCEZUBYDJ-UHFFFAOYSA-N
XLogP4.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
CID 86728916
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
1-(1H-indol-3-yl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-2-phenylethanone
CID 86728918
(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide
CID 107602628

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone (CID 86728658) is 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone is COc1cc(C)nc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone?
The InChIKey is WSEBWMCEZUBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-12-19(28-2)25-22(24-14)26-20(15-8-4-3-5-9-15)21(27)17-13-23-18-11-7-6-10-16(17)18/h3-13,20,23H,1-2H3,(H,24,25,26).
What are the key properties of 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone?
1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone has a molecular weight of 372.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone is sourced from PubChem (CID 86728658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).