4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H12F2N4S — CID 103327318

IUPAC4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2cc(F)cc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H12F2N4S/c15-9-5-8(6-10(16)7-9)1-3-18-12-11-2-4-21-13(11)20-14(17)19-12/h2,4-7H,1,3H2,(H3,17,18,19,20)
InChIKeyUAYCGVKEOPRABN-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.21
Rot. Bonds4

About 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327318) has the molecular formula C14H12F2N4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327318
Molecular FormulaC14H12F2N4S
Molecular Weight306.34 g/mol
Exact Mass306.08
IUPAC Name4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2cc(F)cc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H12F2N4S/c15-9-5-8(6-10(16)7-9)1-3-18-12-11-2-4-21-13(11)20-14(17)19-12/h2,4-7H,1,3H2,(H3,17,18,19,20)
InChIKeyUAYCGVKEOPRABN-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327318) is 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(NCCc2cc(F)cc(F)c2)c2ccsc2n1.
What is the InChIKey of 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UAYCGVKEOPRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4S/c15-9-5-8(6-10(16)7-9)1-3-18-12-11-2-4-21-13(11)20-14(17)19-12/h2,4-7H,1,3H2,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).