8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione

C10H15N5O2 — CID 82465287

IUPAC8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)N)nc21
InChIInChI=1S/C10H15N5O2/c1-3-4-15-8-6(9(16)14-10(15)17)12-7(13-8)5(2)11/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,16,17)
InChIKeyMTSWZVPIEBMNOQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.16
Rot. Bonds3

About 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione

8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione (PubChem CID 82465287) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
PubChem CID82465287
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)N)nc21
InChIInChI=1S/C10H15N5O2/c1-3-4-15-8-6(9(16)14-10(15)17)12-7(13-8)5(2)11/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,16,17)
InChIKeyMTSWZVPIEBMNOQ-UHFFFAOYSA-N
XLogP-0.16
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-aminoethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione
CID 82465427
8-(1-cyclopropylethyl)-3-propyl-7H-purine-2,6-dione
CID 112568895
8-(1-ethylcyclopentyl)-3-propyl-7H-purine-2,6-dione
CID 115925532
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
CID 112568856
8-(cyclohexylmethyl)-3-propyl-7H-purine-2,6-dione
CID 115925466
8-bromo-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465354
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
6-amino-2-chloro-9-propyl-7H-purin-8-one
CID 11379172
8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635
8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
CID 82465308
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione (CID 82465287) is 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)N)nc21.
What is the InChIKey of 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione?
The InChIKey is MTSWZVPIEBMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-4-15-8-6(9(16)14-10(15)17)12-7(13-8)5(2)11/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,16,17).
What are the key properties of 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione?
8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3-propyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).