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

C29H19Cl4N7O3S2 — CID 90909014

IUPAC6-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
SMILESCC(=O)c1sc2nc(C(N)=O)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H10Cl2N4O2S.C14H9Cl2N3OS/c1-5(22)12-10(18)9-11(6-2-3-7(16)8(17)4-6)20-14(13(19)23)21-15(9)24-12;1-6(20)13-11(17)10-12(18-5-19-14(10)21-13)7-2-3-8(15)9(16)4-7/h2-4H,18H2,1H3,(H2,19,23);2-5H,17H2,1H3
InChIKeyZIGYWVNOZFYHCU-UHFFFAOYSA-N
MW719.46 g/mol
LogP8.00
Rot. Bonds5

About 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

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 (PubChem CID 90909014) has the molecular formula C29H19Cl4N7O3S2 and a molecular weight of 719.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID90909014
Molecular FormulaC29H19Cl4N7O3S2
Molecular Weight719.46 g/mol
Exact Mass716.97
IUPAC Name6-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
SMILESCC(=O)c1sc2nc(C(N)=O)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H10Cl2N4O2S.C14H9Cl2N3OS/c1-5(22)12-10(18)9-11(6-2-3-7(16)8(17)4-6)20-14(13(19)23)21-15(9)24-12;1-6(20)13-11(17)10-12(18-5-19-14(10)21-13)7-2-3-8(15)9(16)4-7/h2-4H,18H2,1H3,(H2,19,23);2-5H,17H2,1H3
InChIKeyZIGYWVNOZFYHCU-UHFFFAOYSA-N
XLogP8.00
TPSA180.83 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.46
LogP ≤ 58.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
3-[[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]propanamide
CID 59647340
1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647055
2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 90984701
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-isocyanothieno[2,3-d]pyrimidine-6-carboxamide
CID 59647023
5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 69236911
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)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24738661
5-amino-4-(3,4-dichlorophenyl)-2-(1-hydroxypropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647009
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647170

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1sc2nc(C(N)=O)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 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?
The InChIKey is ZIGYWVNOZFYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S.C14H9Cl2N3OS/c1-5(22)12-10(18)9-11(6-2-3-7(16)8(17)4-6)20-14(13(19)23)21-15(9)24-12;1-6(20)13-11(17)10-12(18-5-19-14(10)21-13)7-2-3-8(15)9(16)4-7/h2-4H,18H2,1H3,(H2,19,23);2-5H,17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 719.46 g/mol, XLogP of 8.00, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90909014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).