2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine

C15H20N8 — CID 22997471

IUPAC2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine
SMILESCC1CCN(C2=NC3(Nc4ccnn4C)N=CN=C3C=N2)CC1
InChIInChI=1S/C15H20N8/c1-11-4-7-23(8-5-11)14-16-9-12-15(21-14,18-10-17-12)20-13-3-6-19-22(13)2/h3,6,9-11,20H,4-5,7-8H2,1-2H3
InChIKeyNOTCDLROCJRZDN-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine

2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine (PubChem CID 22997471) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine
PubChem CID22997471
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine
SMILESCC1CCN(C2=NC3(Nc4ccnn4C)N=CN=C3C=N2)CC1
InChIInChI=1S/C15H20N8/c1-11-4-7-23(8-5-11)14-16-9-12-15(21-14,18-10-17-12)20-13-3-6-19-22(13)2/h3,6,9-11,20H,4-5,7-8H2,1-2H3
InChIKeyNOTCDLROCJRZDN-UHFFFAOYSA-N
XLogP1.14
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine (CID 22997471) is 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine is CC1CCN(C2=NC3(Nc4ccnn4C)N=CN=C3C=N2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine?
The InChIKey is NOTCDLROCJRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-11-4-7-23(8-5-11)14-16-9-12-15(21-14,18-10-17-12)20-13-3-6-19-22(13)2/h3,6,9-11,20H,4-5,7-8H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine?
2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(2-methylpyrazol-3-yl)purin-4-amine is sourced from PubChem (CID 22997471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).