N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine

C13H17N3S — CID 115880973

IUPACN-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CCC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C13H17N3S/c1-13(2)5-3-9(7-13)16-12-11-10(4-6-17-11)14-8-15-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16)
InChIKeyVXMHXPGIQFFHBN-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.68
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine

N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 115880973) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID115880973
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CCC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C13H17N3S/c1-13(2)5-3-9(7-13)16-12-11-10(4-6-17-11)14-8-15-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16)
InChIKeyVXMHXPGIQFFHBN-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
CID 103967085
N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 82760786
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130
[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
CID 62525512
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 114095045
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
CID 80705391
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
CID 91793439

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine (CID 115880973) is N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine is CC1(C)CCC(Nc2ncnc3ccsc23)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VXMHXPGIQFFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2)5-3-9(7-13)16-12-11-10(4-6-17-11)14-8-15-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 115880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).