8-(3-propylpiperidin-3-yl)-7H-purin-6-amine

C13H20N6 — CID 114607967

IUPAC8-(3-propylpiperidin-3-yl)-7H-purin-6-amine
SMILESCCCC1(c2nc3ncnc(N)c3[nH]2)CCCNC1
InChIInChI=1S/C13H20N6/c1-2-4-13(5-3-6-15-7-13)12-18-9-10(14)16-8-17-11(9)19-12/h8,15H,2-7H2,1H3,(H3,14,16,17,18,19)
InChIKeyCABHKZZNBSCWKN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds3

About 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine

8-(3-propylpiperidin-3-yl)-7H-purin-6-amine (PubChem CID 114607967) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-propylpiperidin-3-yl)-7H-purin-6-amine
PubChem CID114607967
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name8-(3-propylpiperidin-3-yl)-7H-purin-6-amine
SMILESCCCC1(c2nc3ncnc(N)c3[nH]2)CCCNC1
InChIInChI=1S/C13H20N6/c1-2-4-13(5-3-6-15-7-13)12-18-9-10(14)16-8-17-11(9)19-12/h8,15H,2-7H2,1H3,(H3,14,16,17,18,19)
InChIKeyCABHKZZNBSCWKN-UHFFFAOYSA-N
XLogP1.36
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-propylpiperidin-3-yl)-7H-purine
CID 114402001
2-(3-propylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820861
8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
CID 114608026
2-(3-propylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 113392364
5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
CID 82001516
8-(1-aminopropyl)-7H-purin-6-amine
CID 114607892
2-(4-propylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 63125111
3-(3-propylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 63137902
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 102696219
7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
CID 63133897
8-N,8-N-dimethyl-7H-purine-6,8-diamine
CID 776561

Frequently Asked Questions

What is the IUPAC name of 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine?
The IUPAC name of 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine (CID 114607967) is 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine is CCCC1(c2nc3ncnc(N)c3[nH]2)CCCNC1.
What is the InChIKey of 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine?
The InChIKey is CABHKZZNBSCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-2-4-13(5-3-6-15-7-13)12-18-9-10(14)16-8-17-11(9)19-12/h8,15H,2-7H2,1H3,(H3,14,16,17,18,19).
What are the key properties of 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine?
8-(3-propylpiperidin-3-yl)-7H-purin-6-amine has a molecular weight of 260.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propylpiperidin-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 114607967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).