2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C20H15FN6S — CID 10150637

IUPAC2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
InChIInChI=1S/C20H15FN6S/c21-14-3-1-12(2-4-14)10-22-20-25-17-7-8-28-18(17)19(26-20)24-15-5-6-16-13(9-15)11-23-27-16/h1-9,11H,10H2,(H,23,27)(H2,22,24,25,26)
InChIKeySSQKYRNYYPJIDN-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.06
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10150637) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10150637
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESFc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
InChIInChI=1S/C20H15FN6S/c21-14-3-1-12(2-4-14)10-22-20-25-17-7-8-28-18(17)19(26-20)24-15-5-6-16-13(9-15)11-23-27-16/h1-9,11H,10H2,(H,23,27)(H2,22,24,25,26)
InChIKeySSQKYRNYYPJIDN-UHFFFAOYSA-N
XLogP5.06
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 10150637) is 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Fc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is SSQKYRNYYPJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-14-3-1-12(2-4-14)10-22-20-25-17-7-8-28-18(17)19(26-20)24-15-5-6-16-13(9-15)11-23-27-16/h1-9,11H,10H2,(H,23,27)(H2,22,24,25,26).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 390.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10150637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).