4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C16H16N4S — CID 103323357

IUPAC4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc3c2CCCC3)c2ccsc2n1
InChIInChI=1S/C16H16N4S/c17-16-19-14(12-8-9-21-15(12)20-16)18-13-7-3-5-10-4-1-2-6-11(10)13/h3,5,7-9H,1-2,4,6H2,(H3,17,18,19,20)
InChIKeyXBJDTJXJEWVWQL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.90
Rot. Bonds2

About 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323357) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323357
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc3c2CCCC3)c2ccsc2n1
InChIInChI=1S/C16H16N4S/c17-16-19-14(12-8-9-21-15(12)20-16)18-13-7-3-5-10-4-1-2-6-11(10)13/h3,5,7-9H,1-2,4,6H2,(H3,17,18,19,20)
InChIKeyXBJDTJXJEWVWQL-UHFFFAOYSA-N
XLogP3.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
5-bromo-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80759991
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983
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-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810

Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103323357) is 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2cccc3c2CCCC3)c2ccsc2n1.
What is the InChIKey of 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XBJDTJXJEWVWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-16-19-14(12-8-9-21-15(12)20-16)18-13-7-3-5-10-4-1-2-6-11(10)13/h3,5,7-9H,1-2,4,6H2,(H3,17,18,19,20).
What are the key properties of 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).