5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C17H18ClN5O3S — CID 57392593

IUPAC5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)(CO)Nc1nc(-c2cc(O)cc(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-17(2,6-24)23-16-21-12(7-3-8(18)5-9(25)4-7)10-11(19)13(14(20)26)27-15(10)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23)
InChIKeyIEIWULTUQINCEL-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.58
Rot. Bonds5

About 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57392593) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57392593
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)(CO)Nc1nc(-c2cc(O)cc(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-17(2,6-24)23-16-21-12(7-3-8(18)5-9(25)4-7)10-11(19)13(14(20)26)27-15(10)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23)
InChIKeyIEIWULTUQINCEL-UHFFFAOYSA-N
XLogP2.58
TPSA147.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 57392593) is 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is CC(C)(CO)Nc1nc(-c2cc(O)cc(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IEIWULTUQINCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-17(2,6-24)23-16-21-12(7-3-8(18)5-9(25)4-7)10-11(19)13(14(20)26)27-15(10)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23).
What are the key properties of 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 2.58, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57392593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).