5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O3S2 — CID 11539288

IUPAC5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1OC
InChIInChI=1S/C20H24N4O3S2/c1-20(2,3)24-17(25)16-13(21)12-14(22-19(28-6)23-18(12)29-16)10-8-7-9-11(26-4)15(10)27-5/h7-9H,21H2,1-6H3,(H,24,25)
InChIKeyLFFVURVORAGEDY-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.21
Rot. Bonds5

About 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11539288) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11539288
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1OC
InChIInChI=1S/C20H24N4O3S2/c1-20(2,3)24-17(25)16-13(21)12-14(22-19(28-6)23-18(12)29-16)10-8-7-9-11(26-4)15(10)27-5/h7-9H,21H2,1-6H3,(H,24,25)
InChIKeyLFFVURVORAGEDY-UHFFFAOYSA-N
XLogP4.21
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[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-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11539288) is 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1OC.
What is the InChIKey of 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LFFVURVORAGEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-20(2,3)24-17(25)16-13(21)12-14(22-19(28-6)23-18(12)29-16)10-8-7-9-11(26-4)15(10)27-5/h7-9H,21H2,1-6H3,(H,24,25).
What are the key properties of 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butyl-4-(2,3-dimethoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11539288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).