8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione

C10H15N5O2 — CID 114402395

IUPAC8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
SMILESCCCCC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H15N5O2/c1-2-3-4-5(11)7-12-6-8(13-7)14-10(17)15-9(6)16/h5H,2-4,11H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyIFZJPRTVABMEKQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.13
Rot. Bonds4

About 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione

8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione (PubChem CID 114402395) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
PubChem CID114402395
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
SMILESCCCCC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C10H15N5O2/c1-2-3-4-5(11)7-12-6-8(13-7)14-10(17)15-9(6)16/h5H,2-4,11H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyIFZJPRTVABMEKQ-UHFFFAOYSA-N
XLogP0.13
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
CID 114402270
ethyl 2-(2,6-dioxo-3,7-dihydropurin-8-yl)butanoate
CID 114401850
8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
CID 107835469
8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
CID 104921170
8-pentoxy-3,7-dihydropurine-2,6-dione
CID 175770858
8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
CID 162308882
8-[(E)-(dibutylamino)diazenyl]-3,7-dihydropurine-2,6-dione
CID 137309375
8-(3-amino-3-phenylpropyl)-3,7-dihydropurine-2,6-dione
CID 114402191
ethyl 2-[(2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]butanoate
CID 16739694
8-[3-(2-aminoethyl)-4,4-dimethylpentyl]-3,7-dihydropurine-2,6-dione
CID 114402156
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione (CID 114402395) is 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione is CCCCC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is IFZJPRTVABMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-3-4-5(11)7-12-6-8(13-7)14-10(17)15-9(6)16/h5H,2-4,11H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione?
8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).