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

C15H15FN4S — CID 103323565

IUPAC4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C15H15FN4S/c1-2-7-17-15-19-13(12-6-8-21-14(12)20-15)18-11-5-3-4-10(16)9-11/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19,20)
InChIKeyFUNKQNTUWGJNDM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.40
Rot. Bonds5

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

4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323565) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323565
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C15H15FN4S/c1-2-7-17-15-19-13(12-6-8-21-14(12)20-15)18-11-5-3-4-10(16)9-11/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19,20)
InChIKeyFUNKQNTUWGJNDM-UHFFFAOYSA-N
XLogP4.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323565) is 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(Nc2cccc(F)c2)c2ccsc2n1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FUNKQNTUWGJNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-2-7-17-15-19-13(12-6-8-21-14(12)20-15)18-11-5-3-4-10(16)9-11/h3-6,8-9H,2,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).