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

C15H16N4S — CID 103324810

IUPAC4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C15H16N4S/c1-2-3-10-4-6-11(7-5-10)17-13-12-8-9-20-14(12)19-15(16)18-13/h4-9H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyDTHASBFWJWSZSG-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.97
Rot. Bonds4

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

4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324810) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324810
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C15H16N4S/c1-2-3-10-4-6-11(7-5-10)17-13-12-8-9-20-14(12)19-15(16)18-13/h4-9H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyDTHASBFWJWSZSG-UHFFFAOYSA-N
XLogP3.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.97
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-(4-propylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332428
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324810) is 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCCc1ccc(Nc2nc(N)nc3sccc23)cc1.
What is the InChIKey of 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DTHASBFWJWSZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-3-10-4-6-11(7-5-10)17-13-12-8-9-20-14(12)19-15(16)18-13/h4-9H,2-3H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).