4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine

C17H20N4O2S — CID 112921828

IUPAC4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-10-16(21-8-6-13-4-2-3-5-15(13)21)20-17(18-12)19-14-7-9-24(22,23)11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyBZTAYLJTVYDFRC-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.08
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine (PubChem CID 112921828) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
PubChem CID112921828
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-10-16(21-8-6-13-4-2-3-5-15(13)21)20-17(18-12)19-14-7-9-24(22,23)11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyBZTAYLJTVYDFRC-UHFFFAOYSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 112895858
3-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-1,2,4-triazin-5-amine
CID 112954857
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927693
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907115
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112921824
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine (CID 112921828) is 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCc3ccccc32)nc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine?
The InChIKey is BZTAYLJTVYDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-10-16(21-8-6-13-4-2-3-5-15(13)21)20-17(18-12)19-14-7-9-24(22,23)11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine has a molecular weight of 344.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112921828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).