2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C19H20Cl2N4O3S — CID 11641062

IUPAC2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCOc1cc(-c2nc(N)nc3sc(C(=O)NC(C)C)cc23)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4O3S/c1-9(2)23-17(26)15-7-11-16(24-19(22)25-18(11)29-15)10-6-14(28-5-4-27-3)13(21)8-12(10)20/h6-9H,4-5H2,1-3H3,(H,23,26)(H2,22,24,25)
InChIKeyYSGXCNLQVXHVCH-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.41
Rot. Bonds7

About 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 11641062) has the molecular formula C19H20Cl2N4O3S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID11641062
Molecular FormulaC19H20Cl2N4O3S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCOc1cc(-c2nc(N)nc3sc(C(=O)NC(C)C)cc23)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4O3S/c1-9(2)23-17(26)15-7-11-16(24-19(22)25-18(11)29-15)10-6-14(28-5-4-27-3)13(21)8-12(10)20/h6-9H,4-5H2,1-3H3,(H,23,26)(H2,22,24,25)
InChIKeyYSGXCNLQVXHVCH-UHFFFAOYSA-N
XLogP4.41
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 11641062) is 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is COCCOc1cc(-c2nc(N)nc3sc(C(=O)NC(C)C)cc23)c(Cl)cc1Cl.
What is the InChIKey of 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YSGXCNLQVXHVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3S/c1-9(2)23-17(26)15-7-11-16(24-19(22)25-18(11)29-15)10-6-14(28-5-4-27-3)13(21)8-12(10)20/h6-9H,4-5H2,1-3H3,(H,23,26)(H2,22,24,25).
What are the key properties of 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 11641062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).