N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine

C16H19N7 — CID 19785321

IUPACN-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine
SMILESc1ccc(Cn2c(NC3CCNCC3)nc3cncnc32)nc1
InChIInChI=1S/C16H19N7/c1-2-6-19-13(3-1)10-23-15-14(9-18-11-20-15)22-16(23)21-12-4-7-17-8-5-12/h1-3,6,9,11-12,17H,4-5,7-8,10H2,(H,21,22)
InChIKeyMUZFQBKVDYVBOO-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.43
Rot. Bonds4

About N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine

N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine (PubChem CID 19785321) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine
PubChem CID19785321
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine
SMILESc1ccc(Cn2c(NC3CCNCC3)nc3cncnc32)nc1
InChIInChI=1S/C16H19N7/c1-2-6-19-13(3-1)10-23-15-14(9-18-11-20-15)22-16(23)21-12-4-7-17-8-5-12/h1-3,6,9,11-12,17H,4-5,7-8,10H2,(H,21,22)
InChIKeyMUZFQBKVDYVBOO-UHFFFAOYSA-N
XLogP1.43
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine?
The IUPAC name of N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine (CID 19785321) is N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine.
What is the SMILES notation for N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine?
The canonical SMILES for N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine is c1ccc(Cn2c(NC3CCNCC3)nc3cncnc32)nc1.
What is the InChIKey of N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine?
The InChIKey is MUZFQBKVDYVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-6-19-13(3-1)10-23-15-14(9-18-11-20-15)22-16(23)21-12-4-7-17-8-5-12/h1-3,6,9,11-12,17H,4-5,7-8,10H2,(H,21,22).
What are the key properties of N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine?
N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine has a molecular weight of 309.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-9-(pyridin-2-ylmethyl)purin-8-amine is sourced from PubChem (CID 19785321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).