4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H9FN4S — CID 103323570

IUPAC4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C12H9FN4S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H3,14,15,16,17)
InChIKeyIRPZGASZDOGPPF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.16
Rot. Bonds2

About 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323570) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323570
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C12H9FN4S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H3,14,15,16,17)
InChIKeyIRPZGASZDOGPPF-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323565
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103323570) is 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2cccc(F)c2)c2ccsc2n1.
What is the InChIKey of 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IRPZGASZDOGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H3,14,15,16,17).
What are the key properties of 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).