N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine

C14H17N7S — CID 19785361

IUPACN-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine
SMILESc1ncc2nc(NC3CCNCC3)n(Cc3cscn3)c2n1
InChIInChI=1S/C14H17N7S/c1-3-15-4-2-10(1)19-14-20-12-5-16-8-17-13(12)21(14)6-11-7-22-9-18-11/h5,7-10,15H,1-4,6H2,(H,19,20)
InChIKeySSDLKIXMXGLXFV-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.50
Rot. Bonds4

About N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine

N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine (PubChem CID 19785361) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine
PubChem CID19785361
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine
SMILESc1ncc2nc(NC3CCNCC3)n(Cc3cscn3)c2n1
InChIInChI=1S/C14H17N7S/c1-3-15-4-2-10(1)19-14-20-12-5-16-8-17-13(12)21(14)6-11-7-22-9-18-11/h5,7-10,15H,1-4,6H2,(H,19,20)
InChIKeySSDLKIXMXGLXFV-UHFFFAOYSA-N
XLogP1.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine?
The IUPAC name of N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine (CID 19785361) is N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine.
What is the SMILES notation for N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine?
The canonical SMILES for N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine is c1ncc2nc(NC3CCNCC3)n(Cc3cscn3)c2n1.
What is the InChIKey of N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine?
The InChIKey is SSDLKIXMXGLXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-3-15-4-2-10(1)19-14-20-12-5-16-8-17-13(12)21(14)6-11-7-22-9-18-11/h5,7-10,15H,1-4,6H2,(H,19,20).
What are the key properties of N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine?
N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine has a molecular weight of 315.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine is sourced from PubChem (CID 19785361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).