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

C18H22N6O3S — CID 59647269

IUPAC5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C18H22N6O3S/c1-4-27-10-5-9(6-21-7-10)13-11-12(19)14(15(20)26)28-16(11)23-17(22-13)24-18(2,3)8-25/h5-7,25H,4,8,19H2,1-3H3,(H2,20,26)(H,22,23,24)
InChIKeyQFOLEPURMVMLDP-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.02
Rot. Bonds7

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

5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647269) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647269
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C18H22N6O3S/c1-4-27-10-5-9(6-21-7-10)13-11-12(19)14(15(20)26)28-16(11)23-17(22-13)24-18(2,3)8-25/h5-7,25H,4,8,19H2,1-3H3,(H2,20,26)(H,22,23,24)
InChIKeyQFOLEPURMVMLDP-UHFFFAOYSA-N
XLogP2.02
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-amino-4-(5-ethoxy-3-pyridinyl)-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-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647269) is 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is CCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QFOLEPURMVMLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-4-27-10-5-9(6-21-7-10)13-11-12(19)14(15(20)26)28-16(11)23-17(22-13)24-18(2,3)8-25/h5-7,25H,4,8,19H2,1-3H3,(H2,20,26)(H,22,23,24).
What are the key properties of 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).