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

C15H16N4S — CID 103323343

IUPAC4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cccc(Nc2nc(N)nc3sccc23)c1
InChIInChI=1S/C15H16N4S/c1-9(2)10-4-3-5-11(8-10)17-13-12-6-7-20-14(12)19-15(16)18-13/h3-9H,1-2H3,(H3,16,17,18,19)
InChIKeyGNWMQZZQASYEFZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.14
Rot. Bonds3

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

4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323343) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323343
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)c1cccc(Nc2nc(N)nc3sccc23)c1
InChIInChI=1S/C15H16N4S/c1-9(2)10-4-3-5-11(8-10)17-13-12-6-7-20-14(12)19-15(16)18-13/h3-9H,1-2H3,(H3,16,17,18,19)
InChIKeyGNWMQZZQASYEFZ-UHFFFAOYSA-N
XLogP4.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 102754630
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103323343) is 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC(C)c1cccc(Nc2nc(N)nc3sccc23)c1.
What is the InChIKey of 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GNWMQZZQASYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9(2)10-4-3-5-11(8-10)17-13-12-6-7-20-14(12)19-15(16)18-13/h3-9H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).