9-(1-aminopentyl)purin-6-amine

C10H16N6 — CID 174938588

IUPAC9-(1-aminopentyl)purin-6-amine
SMILESCCCCC(N)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H16N6/c1-2-3-4-7(11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,2-4,11H2,1H3,(H2,12,13,14)
InChIKeyGFXXRVNEOPOCSH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.06
Rot. Bonds4

About 9-(1-aminopentyl)purin-6-amine

9-(1-aminopentyl)purin-6-amine (PubChem CID 174938588) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 9-(1-aminopentyl)purin-6-amine.

Molecular Properties

Compound Name9-(1-aminopentyl)purin-6-amine
PubChem CID174938588
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name9-(1-aminopentyl)purin-6-amine
SMILESCCCCC(N)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H16N6/c1-2-3-4-7(11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,2-4,11H2,1H3,(H2,12,13,14)
InChIKeyGFXXRVNEOPOCSH-UHFFFAOYSA-N
XLogP1.06
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
sodium;1-(6-aminopurin-9-yl)-4-methanidylpentan-1-ol;propane
CID 155737450
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
9-nonylpurin-6-amine
CID 3816519
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
1-O-ethyl 4-O-propyl 2-(6-aminopurin-9-yl)butanedioate
CID 53428116
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603

Frequently Asked Questions

What is the IUPAC name of 9-(1-aminopentyl)purin-6-amine?
The IUPAC name of 9-(1-aminopentyl)purin-6-amine (CID 174938588) is 9-(1-aminopentyl)purin-6-amine.
What is the SMILES notation for 9-(1-aminopentyl)purin-6-amine?
The canonical SMILES for 9-(1-aminopentyl)purin-6-amine is CCCCC(N)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-(1-aminopentyl)purin-6-amine?
The InChIKey is GFXXRVNEOPOCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-2-3-4-7(11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,2-4,11H2,1H3,(H2,12,13,14).
What are the key properties of 9-(1-aminopentyl)purin-6-amine?
9-(1-aminopentyl)purin-6-amine has a molecular weight of 220.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminopentyl)purin-6-amine is sourced from PubChem (CID 174938588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).