1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone

C17H15ClN4OS — CID 59647302

IUPAC1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N
InChIInChI=1S/C17H15ClN4OS/c1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15/h2-4,7,11H,5-6,19H2,1H3,(H,20,21,22)
InChIKeyNFVSHIHAGIMSBQ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.37
Rot. Bonds4

About 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 59647302) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID59647302
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N
InChIInChI=1S/C17H15ClN4OS/c1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15/h2-4,7,11H,5-6,19H2,1H3,(H,20,21,22)
InChIKeyNFVSHIHAGIMSBQ-UHFFFAOYSA-N
XLogP4.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]phenyl]-3-(4-chlorophenyl)urea
CID 59647341
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
1-[5-amino-2-(cyclopropylamino)-4-[4-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647299
1-[5-amino-4-(3H-benzimidazol-5-yl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647373
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 90984701
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 24739128
1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 162116981
5-amino-4-(3,4-dichlorophenyl)-2-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71131626
3-[[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]propanamide
CID 59647340
tert-butyl (3R)-3-[[5-amino-6-carbamoyl-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 86617287

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 59647302) is 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.
What is the InChIKey of 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is NFVSHIHAGIMSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15/h2-4,7,11H,5-6,19H2,1H3,(H,20,21,22).
What are the key properties of 1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 358.85 g/mol, XLogP of 4.37, 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-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 59647302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).