2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine

C19H24N4O2S — CID 112921934

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCS(=O)(=O)C2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4O2S/c1-14-12-18(22(2)16-9-11-26(24,25)13-16)21-19(20-14)23-10-5-7-15-6-3-4-8-17(15)23/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3
InChIKeyFAZSCWABGILMMO-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.49
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 112921934) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID112921934
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCS(=O)(=O)C2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4O2S/c1-14-12-18(22(2)16-9-11-26(24,25)13-16)21-19(20-14)23-10-5-7-15-6-3-4-8-17(15)23/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3
InChIKeyFAZSCWABGILMMO-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 112923053
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331479
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112955228
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934602
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
2-N-[4-(dimethylamino)phenyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112921983
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
CID 112921828
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 108989408

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine (CID 112921934) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCS(=O)(=O)C2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is FAZSCWABGILMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-12-18(22(2)16-9-11-26(24,25)13-16)21-19(20-14)23-10-5-7-15-6-3-4-8-17(15)23/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 372.49 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 112921934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).