5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H26N6O3S — CID 71177117

IUPAC5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OCc4ccccc4)c3)c2c1N
InChIInChI=1S/C24H26N6O3S/c1-24(2,13-31)30-23-28-19(17-18(25)20(21(32)26-3)34-22(17)29-23)15-9-16(11-27-10-15)33-12-14-7-5-4-6-8-14/h4-11,31H,12-13,25H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyIEMPUPJPSXYXIU-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.46
Rot. Bonds8

About 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71177117) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID71177117
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OCc4ccccc4)c3)c2c1N
InChIInChI=1S/C24H26N6O3S/c1-24(2,13-31)30-23-28-19(17-18(25)20(21(32)26-3)34-22(17)29-23)15-9-16(11-27-10-15)33-12-14-7-5-4-6-8-14/h4-11,31H,12-13,25H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyIEMPUPJPSXYXIU-UHFFFAOYSA-N
XLogP3.46
TPSA135.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)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-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 71177117) is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(NC(C)(C)CO)nc(-c3cncc(OCc4ccccc4)c3)c2c1N.
What is the InChIKey of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IEMPUPJPSXYXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-24(2,13-31)30-23-28-19(17-18(25)20(21(32)26-3)34-22(17)29-23)15-9-16(11-27-10-15)33-12-14-7-5-4-6-8-14/h4-11,31H,12-13,25H2,1-3H3,(H,26,32)(H,28,29,30).
What are the key properties of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.46, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-methyl-4-(5-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71177117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).