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

C15H13Cl2N5O2S — CID 57401315

IUPAC5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H13Cl2N5O2S/c16-7-2-1-6(5-8(7)17)11-9-10(18)12(13(19)24)25-14(9)22-15(21-11)20-3-4-23/h1-2,5,23H,3-4,18H2,(H2,19,24)(H,20,21,22)
InChIKeyBCALWAGTQCFXQT-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.75
Rot. Bonds5

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

5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57401315) has the molecular formula C15H13Cl2N5O2S and a molecular weight of 398.28 g/mol. Its IUPAC name is 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57401315
Molecular FormulaC15H13Cl2N5O2S
Molecular Weight398.28 g/mol
Exact Mass397.02
IUPAC Name5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C15H13Cl2N5O2S/c16-7-2-1-6(5-8(7)17)11-9-10(18)12(13(19)24)25-14(9)22-15(21-11)20-3-4-23/h1-2,5,23H,3-4,18H2,(H2,19,24)(H,20,21,22)
InChIKeyBCALWAGTQCFXQT-UHFFFAOYSA-N
XLogP2.75
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57401315) is 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BCALWAGTQCFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2S/c16-7-2-1-6(5-8(7)17)11-9-10(18)12(13(19)24)25-14(9)22-15(21-11)20-3-4-23/h1-2,5,23H,3-4,18H2,(H2,19,24)(H,20,21,22).
What are the key properties of 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 398.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).