2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C15H17N3OS2 — CID 136791671

IUPAC2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)s1
InChIInChI=1S/C15H17N3OS2/c1-9-4-5-12(21-9)10(2)18(3)8-13-16-11-6-7-20-14(11)15(19)17-13/h4-7,10H,8H2,1-3H3,(H,16,17,19)/t10-/m0/s1
InChIKeyXTJDTUDGBTYUCK-JTQLQIEISA-N
MW319.46 g/mol
LogP3.55
Rot. Bonds4

About 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136791671) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136791671
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)s1
InChIInChI=1S/C15H17N3OS2/c1-9-4-5-12(21-9)10(2)18(3)8-13-16-11-6-7-20-14(11)15(19)17-13/h4-7,10H,8H2,1-3H3,(H,16,17,19)/t10-/m0/s1
InChIKeyXTJDTUDGBTYUCK-JTQLQIEISA-N
XLogP3.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135891739
2-[[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136654379
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 163317705
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428
N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
2-[[methyl-[(3S)-3-(5-methylfuran-2-yl)butyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137225366
2-[[1,3-benzothiazol-2-yl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266156
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
methyl 5-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]thiophene-2-carboxylate
CID 137278323
2-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870191
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,3-diphenylpropanamide
CID 135955544

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136791671) is 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)s1.
What is the InChIKey of 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XTJDTUDGBTYUCK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-9-4-5-12(21-9)10(2)18(3)8-13-16-11-6-7-20-14(11)15(19)17-13/h4-7,10H,8H2,1-3H3,(H,16,17,19)/t10-/m0/s1.
What are the key properties of 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 319.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136791671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).