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

C12H15N3S2 — CID 113244147

IUPACN-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCSC1CCC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C12H15N3S2/c1-16-9-3-2-8(6-9)15-12-11-10(4-5-17-11)13-7-14-12/h4-5,7-9H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyLPUYJQFYRQQITL-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.39
Rot. Bonds3

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

N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 113244147) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID113244147
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCSC1CCC(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C12H15N3S2/c1-16-9-3-2-8(6-9)15-12-11-10(4-5-17-11)13-7-14-12/h4-5,7-9H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyLPUYJQFYRQQITL-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
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
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130
6-chloro-N-(3-methylsulfanylcyclopentyl)-5-propylpyrimidin-4-amine
CID 114123827
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
CID 103704104
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
CID 91793439
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 127311887
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine (CID 113244147) is N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine is CSC1CCC(Nc2ncnc3ccsc23)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LPUYJQFYRQQITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-16-9-3-2-8(6-9)15-12-11-10(4-5-17-11)13-7-14-12/h4-5,7-9H,2-3,6H2,1H3,(H,13,14,15).
What are the key properties of N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 265.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 113244147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).