5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane

C18H19Cl2N5OS — CID 143513419

IUPAC5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
SMILESCC.NC(=O)c1sc2nc(N3CCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C16H13Cl2N5OS.C2H6/c17-8-3-2-7(6-9(8)18)12-10-11(19)13(14(20)24)25-15(10)22-16(21-12)23-4-1-5-23;1-2/h2-3,6H,1,4-5,19H2,(H2,20,24);1-2H3
InChIKeyHMEZRXAKMJPQKQ-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.58
Rot. Bonds3

About 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane

5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane (PubChem CID 143513419) has the molecular formula C18H19Cl2N5OS and a molecular weight of 424.36 g/mol. Its IUPAC name is 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane.

Molecular Properties

Compound Name5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
PubChem CID143513419
Molecular FormulaC18H19Cl2N5OS
Molecular Weight424.36 g/mol
Exact Mass423.07
IUPAC Name5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane
SMILESCC.NC(=O)c1sc2nc(N3CCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C16H13Cl2N5OS.C2H6/c17-8-3-2-7(6-9(8)18)12-10-11(19)13(14(20)24)25-15(10)22-16(21-12)23-4-1-5-23;1-2/h2-3,6H,1,4-5,19H2,(H2,20,24);1-2H3
InChIKeyHMEZRXAKMJPQKQ-UHFFFAOYSA-N
XLogP4.58
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-amino-4-(3,4-dichlorophenyl)-2-[(2S,3S)-3-hydroxybutan-2-yl]oxythieno[2,3-d]pyrimidine-6-carboxamide;sulfane
CID 162000436
1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
CID 158249298
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-[[1-(hydroxymethyl)cyclopropyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647058
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
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-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
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
5-amino-4-(3,4-dichlorophenyl)-2-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71131626
2-acetyl-5-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 90984701

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane?
The IUPAC name of 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane (CID 143513419) is 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane.
What is the SMILES notation for 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane?
The canonical SMILES for 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane is CC.NC(=O)c1sc2nc(N3CCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane?
The InChIKey is HMEZRXAKMJPQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5OS.C2H6/c17-8-3-2-7(6-9(8)18)12-10-11(19)13(14(20)24)25-15(10)22-16(21-12)23-4-1-5-23;1-2/h2-3,6H,1,4-5,19H2,(H2,20,24);1-2H3.
What are the key properties of 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane?
5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane has a molecular weight of 424.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide;ethane is sourced from PubChem (CID 143513419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).