2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C19H23N3OS2 — CID 97256597

IUPAC2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC[C@H](CSC)N(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C19H23N3OS2/c1-4-14(12-24-3)22(2)11-17-20-18(23)15-10-16(25-19(15)21-17)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyBSEQUWVWKKECNP-CQSZACIVSA-N
MW373.55 g/mol
LogP4.22
Rot. Bonds7

About 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 97256597) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID97256597
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC[C@H](CSC)N(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C19H23N3OS2/c1-4-14(12-24-3)22(2)11-17-20-18(23)15-10-16(25-19(15)21-17)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyBSEQUWVWKKECNP-CQSZACIVSA-N
XLogP4.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55838450
2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110881274
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46444147
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 2106367
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-[(pentylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39147152
2-methylsulfonyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95528669
2-[(3-chlorophenyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888382
2-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 56527229
2-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55682605
2-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 99669648
2-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 97314474

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 97256597) is 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is CC[C@H](CSC)N(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BSEQUWVWKKECNP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-4-14(12-24-3)22(2)11-17-20-18(23)15-10-16(25-19(15)21-17)13-8-6-5-7-9-13/h5-10,14H,4,11-12H2,1-3H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 373.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 97256597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).