2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C19H23ClN6S — CID 167462002

IUPAC2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1c(-c1nccs1)cn2C1CCC(C2CCNCC2)C1
InChIInChI=1S/C19H23ClN6S/c20-19-24-16(21)15-14(18-23-7-8-27-18)10-26(17(15)25-19)13-2-1-12(9-13)11-3-5-22-6-4-11/h7-8,10-13,22H,1-6,9H2,(H2,21,24,25)
InChIKeyUTDKQNNUXAJRFU-UHFFFAOYSA-N
MW402.96 g/mol
LogP4.13
Rot. Bonds3

About 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167462002) has the molecular formula C19H23ClN6S and a molecular weight of 402.96 g/mol. Its IUPAC name is 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167462002
Molecular FormulaC19H23ClN6S
Molecular Weight402.96 g/mol
Exact Mass402.14
IUPAC Name2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1c(-c1nccs1)cn2C1CCC(C2CCNCC2)C1
InChIInChI=1S/C19H23ClN6S/c20-19-24-16(21)15-14(18-23-7-8-27-18)10-26(17(15)25-19)13-2-1-12(9-13)11-3-5-22-6-4-11/h7-8,10-13,22H,1-6,9H2,(H2,21,24,25)
InChIKeyUTDKQNNUXAJRFU-UHFFFAOYSA-N
XLogP4.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.96
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 167462002) is 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c1c(-c1nccs1)cn2C1CCC(C2CCNCC2)C1.
What is the InChIKey of 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UTDKQNNUXAJRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6S/c20-19-24-16(21)15-14(18-23-7-8-27-18)10-26(17(15)25-19)13-2-1-12(9-13)11-3-5-22-6-4-11/h7-8,10-13,22H,1-6,9H2,(H2,21,24,25).
What are the key properties of 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 402.96 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(3-piperidin-4-ylcyclopentyl)-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167462002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).