7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C12H15N5S — CID 162371668

IUPAC7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2c(N3CC4CCCC4C3)ncnc2s1
InChIInChI=1S/C12H15N5S/c13-12-16-9-10(14-6-15-11(9)18-12)17-4-7-2-1-3-8(7)5-17/h6-8H,1-5H2,(H2,13,16)
InChIKeyYTYKSSGUGHOUBN-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.90
Rot. Bonds1

About 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 162371668) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID162371668
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2c(N3CC4CCCC4C3)ncnc2s1
InChIInChI=1S/C12H15N5S/c13-12-16-9-10(14-6-15-11(9)18-12)17-4-7-2-1-3-8(7)5-17/h6-8H,1-5H2,(H2,13,16)
InChIKeyYTYKSSGUGHOUBN-UHFFFAOYSA-N
XLogP1.90
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 162371668) is 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Nc1nc2c(N3CC4CCCC4C3)ncnc2s1.
What is the InChIKey of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is YTYKSSGUGHOUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c13-12-16-9-10(14-6-15-11(9)18-12)17-4-7-2-1-3-8(7)5-17/h6-8H,1-5H2,(H2,13,16).
What are the key properties of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 261.35 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 162371668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).