2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C21H23N3OS — CID 46444147

IUPAC2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C1CC1)N(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C21H23N3OS/c1-13(14-7-8-14)24(16-9-10-16)12-19-22-20(25)17-11-18(26-21(17)23-19)15-5-3-2-4-6-15/h2-6,11,13-14,16H,7-10,12H2,1H3,(H,22,23,25)
InChIKeySMJRNCVKMNMJIL-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.41
Rot. Bonds6

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

2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46444147) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46444147
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C1CC1)N(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C21H23N3OS/c1-13(14-7-8-14)24(16-9-10-16)12-19-22-20(25)17-11-18(26-21(17)23-19)15-5-3-2-4-6-15/h2-6,11,13-14,16H,7-10,12H2,1H3,(H,22,23,25)
InChIKeySMJRNCVKMNMJIL-UHFFFAOYSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 2106367
2-[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55682605
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55838450
6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706970
2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110881274
2-[[methyl-[(2R)-1-methylsulfanylbutan-2-yl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 97256597
2-[[(1S,2R)-2-methylcyclohexyl]oxymethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 97314474
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-[[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 124730751
2-[[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 30264144
2-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11926368

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 46444147) is 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is CC(C1CC1)N(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SMJRNCVKMNMJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13(14-7-8-14)24(16-9-10-16)12-19-22-20(25)17-11-18(26-21(17)23-19)15-5-3-2-4-6-15/h2-6,11,13-14,16H,7-10,12H2,1H3,(H,22,23,25).
What are the key properties of 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 365.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46444147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).