1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione

C10H15N5O3 — CID 82465250

IUPAC1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione
SMILESCCn1c(=O)c2[nH]c(NCCO)nc2n(C)c1=O
InChIInChI=1S/C10H15N5O3/c1-3-15-8(17)6-7(14(2)10(15)18)13-9(12-6)11-4-5-16/h16H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyNJLJSDZATBCQFL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.15
Rot. Bonds4

About 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione

1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione (PubChem CID 82465250) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione
PubChem CID82465250
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione
SMILESCCn1c(=O)c2[nH]c(NCCO)nc2n(C)c1=O
InChIInChI=1S/C10H15N5O3/c1-3-15-8(17)6-7(14(2)10(15)18)13-9(12-6)11-4-5-16/h16H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyNJLJSDZATBCQFL-UHFFFAOYSA-N
XLogP-1.15
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
8-(2-hydroxyethylamino)-3-propyl-7H-purine-2,6-dione
CID 82465307
8-(bromomethyl)-1-ethyl-3-methyl-7H-purine-2,6-dione
CID 82465244
8-(5-aminopentylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 107323631
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
CID 6928527
8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61043557
8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
CID 82465014
8-(3-hydroxypropylamino)-3-propyl-7H-purine-2,6-dione
CID 82465308
8-[2-(furan-2-yl)ethylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61023544
1,3-dimethyl-8-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-7H-purine-2,6-dione
CID 104973146
1,3-dimethyl-8-(2-pyrrolidin-2-ylethylamino)-7H-purine-2,6-dione
CID 114794596

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione?
The IUPAC name of 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione (CID 82465250) is 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione?
The canonical SMILES for 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione is CCn1c(=O)c2[nH]c(NCCO)nc2n(C)c1=O.
What is the InChIKey of 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione?
The InChIKey is NJLJSDZATBCQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-3-15-8(17)6-7(14(2)10(15)18)13-9(12-6)11-4-5-16/h16H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione?
1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(2-hydroxyethylamino)-3-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).