1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one

C16H15ClN4OS — CID 59647295

IUPAC1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C16H15ClN4OS/c1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14/h4-7H,3,18H2,1-2H3,(H,19,20,21)
InChIKeyXWNJYTHZQKCJGV-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.23
Rot. Bonds4

About 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one

1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 59647295) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID59647295
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C16H15ClN4OS/c1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14/h4-7H,3,18H2,1-2H3,(H,19,20,21)
InChIKeyXWNJYTHZQKCJGV-UHFFFAOYSA-N
XLogP4.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647170
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
CID 143513606
5-amino-4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738661
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
5-amino-4-(4-chlorophenyl)-2-(2-methoxyethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69303095
5-amino-N-methyl-2-(methylamino)-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738165
5-amino-4-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine-6-carbothioic S-acid
CID 87957723
carbamoyl 5-amino-4-(2,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 90948503
5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24738982
1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one
CID 91469059
[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
CID 143513636

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one (CID 59647295) is 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one is CCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is XWNJYTHZQKCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14/h4-7H,3,18H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one?
1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 346.84 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 59647295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).