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

C20H26N4O2S — CID 112923053

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCN(c1cc(C)nc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O2S/c1-3-23(17-10-12-27(25,26)14-17)19-13-15(2)21-20(22-19)24-11-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3
InChIKeyGHLCMOPTIQXRMZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.88
Rot. Bonds4

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 112923053) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID112923053
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCN(c1cc(C)nc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O2S/c1-3-23(17-10-12-27(25,26)14-17)19-13-15(2)21-20(22-19)24-11-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3
InChIKeyGHLCMOPTIQXRMZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-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,6-dimethylpyrimidin-4-amine
CID 112921934
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331479
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112923047
2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112923113
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112955228
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112923037
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-cycloheptyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112924885
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 112869021
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112923041
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine (CID 112923053) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine is CCN(c1cc(C)nc(N2CCCc3ccccc32)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is GHLCMOPTIQXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-3-23(17-10-12-27(25,26)14-17)19-13-15(2)21-20(22-19)24-11-6-8-16-7-4-5-9-18(16)24/h4-5,7,9,13,17H,3,6,8,10-12,14H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 2.88, 4 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-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112923053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).