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

C13H18N4S — CID 103330666

IUPAC4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(C)CCC(Nc2nc(N)nc3sccc23)C1
InChIInChI=1S/C13H18N4S/c1-13(2)5-3-8(7-13)15-10-9-4-6-18-11(9)17-12(14)16-10/h4,6,8H,3,5,7H2,1-2H3,(H3,14,15,16,17)
InChIKeyVSHMFVZOGXWGRL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds2

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

4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330666) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330666
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(C)CCC(Nc2nc(N)nc3sccc23)C1
InChIInChI=1S/C13H18N4S/c1-13(2)5-3-8(7-13)15-10-9-4-6-18-11(9)17-12(14)16-10/h4,6,8H,3,5,7H2,1-2H3,(H3,14,15,16,17)
InChIKeyVSHMFVZOGXWGRL-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330666) is 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC1(C)CCC(Nc2nc(N)nc3sccc23)C1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VSHMFVZOGXWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2)5-3-8(7-13)15-10-9-4-6-18-11(9)17-12(14)16-10/h4,6,8H,3,5,7H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).