2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C19H24N4OS — CID 46943004

IUPAC2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1
InChIInChI=1S/C19H24N4OS/c1-13(2)15-6-4-14(5-7-15)12-21-18-17-16(8-11-25-17)22-19(23-18)20-9-10-24-3/h4-8,11,13H,9-10,12H2,1-3H3,(H2,20,21,22,23)
InChIKeySVEIZWICONZVJV-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.49
Rot. Bonds8

About 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46943004) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46943004
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1
InChIInChI=1S/C19H24N4OS/c1-13(2)15-6-4-14(5-7-15)12-21-18-17-16(8-11-25-17)22-19(23-18)20-9-10-24-3/h4-8,11,13H,9-10,12H2,1-3H3,(H2,20,21,22,23)
InChIKeySVEIZWICONZVJV-UHFFFAOYSA-N
XLogP4.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 46943004) is 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(NCc2ccc(C(C)C)cc2)c2sccc2n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is SVEIZWICONZVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13(2)15-6-4-14(5-7-15)12-21-18-17-16(8-11-25-17)22-19(23-18)20-9-10-24-3/h4-8,11,13H,9-10,12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 356.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-[(4-propan-2-ylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46943004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).