N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine

C19H24N6 — CID 60504397

IUPACN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine
SMILESCC1CCCCN1Cc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C19H24N6/c1-14-6-4-5-9-25(14)11-16-8-3-2-7-15(16)10-20-18-17-19(22-12-21-17)24-13-23-18/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,20,21,22,23,24)
InChIKeyBXGKKDZYLYZRAC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.34
Rot. Bonds5

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine (PubChem CID 60504397) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine
PubChem CID60504397
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine
SMILESCC1CCCCN1Cc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C19H24N6/c1-14-6-4-5-9-25(14)11-16-8-3-2-7-15(16)10-20-18-17-19(22-12-21-17)24-13-23-18/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,20,21,22,23,24)
InChIKeyBXGKKDZYLYZRAC-UHFFFAOYSA-N
XLogP3.34
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine (CID 60504397) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine is CC1CCCCN1Cc1ccccc1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine?
The InChIKey is BXGKKDZYLYZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-6-4-5-9-25(14)11-16-8-3-2-7-15(16)10-20-18-17-19(22-12-21-17)24-13-23-18/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine?
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 60504397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).