2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C19H18N4OS2 — CID 137306008

IUPAC2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1ccc2c(C)cc(N(C)Cc3nc4ccsc4c(=O)[nH]3)nc2c1
InChIInChI=1S/C19H18N4OS2/c1-11-8-17(21-15-9-12(25-3)4-5-13(11)15)23(2)10-16-20-14-6-7-26-18(14)19(24)22-16/h4-9H,10H2,1-3H3,(H,20,22,24)
InChIKeyOUDGHFMBPKFFMR-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.20
Rot. Bonds4

About 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137306008) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137306008
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1ccc2c(C)cc(N(C)Cc3nc4ccsc4c(=O)[nH]3)nc2c1
InChIInChI=1S/C19H18N4OS2/c1-11-8-17(21-15-9-12(25-3)4-5-13(11)15)23(2)10-16-20-14-6-7-26-18(14)19(24)22-16/h4-9H,10H2,1-3H3,(H,20,22,24)
InChIKeyOUDGHFMBPKFFMR-UHFFFAOYSA-N
XLogP4.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 163317705
2-[[methyl-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266300
N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777082
2-[[1,3-benzothiazol-2-yl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266156
2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136791671
2-[(4-methylphenyl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135903608
2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266192
2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135714100
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 135857892
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
CID 137294321

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137306008) is 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CSc1ccc2c(C)cc(N(C)Cc3nc4ccsc4c(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OUDGHFMBPKFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-11-8-17(21-15-9-12(25-3)4-5-13(11)15)23(2)10-16-20-14-6-7-26-18(14)19(24)22-16/h4-9H,10H2,1-3H3,(H,20,22,24).
What are the key properties of 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 382.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137306008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).