2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C15H11ClN4O2S — CID 90984701

IUPAC2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1nc(-c2cccc(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C15H11ClN4O2S/c1-6(21)14-19-11(7-3-2-4-8(16)5-7)9-10(17)12(13(18)22)23-15(9)20-14/h2-5H,17H2,1H3,(H2,18,22)
InChIKeyFGHASRXKLNVTKH-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.90
Rot. Bonds3

About 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 90984701) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID90984701
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1nc(-c2cccc(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C15H11ClN4O2S/c1-6(21)14-19-11(7-3-2-4-8(16)5-7)9-10(17)12(13(18)22)23-15(9)20-14/h2-5H,17H2,1H3,(H2,18,22)
InChIKeyFGHASRXKLNVTKH-UHFFFAOYSA-N
XLogP2.90
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647302
6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-2-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 90909014
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 69236911
5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidine-6-carboxamide
CID 59647023
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
CID 143513419
5-amino-4-(3,4-dichlorophenyl)-2-[(2S,3S)-3-hydroxybutan-2-yl]oxythieno[2,3-d]pyrimidine-6-carboxamide;sulfane
CID 162000436
5-amino-4-(3,4-dichlorophenyl)-2-(1-hydroxypropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647009
5-amino-4-(3-chlorophenyl)-2-[(2-methylpyrazol-3-yl)methoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 67507975
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
5-amino-4-(3-chlorophenyl)-2-[3-morpholin-4-yl-1-(1H-pyrazol-5-yl)propoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 67289089

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 90984701) is 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is CC(=O)c1nc(-c2cccc(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FGHASRXKLNVTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c1-6(21)14-19-11(7-3-2-4-8(16)5-7)9-10(17)12(13(18)22)23-15(9)20-14/h2-5H,17H2,1H3,(H2,18,22).
What are the key properties of 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 346.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90984701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).