2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione

C9H15N5O3 — CID 11311

IUPAC2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]cnc2n(C)c1=O.NCCO
InChIInChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2
InChIKeyDAAFJZUNCOXSKD-UHFFFAOYSA-N
MW241.25 g/mol
LogP-2.10
Rot. Bonds1

About 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione

2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 11311) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione
PubChem CID11311
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]cnc2n(C)c1=O.NCCO
InChIInChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2
InChIKeyDAAFJZUNCOXSKD-UHFFFAOYSA-N
XLogP-2.10
TPSA118.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3182
7-Methylxanthine
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Proxyphylline
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Aminophylline
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1-Methylxanthine
CID 80220
3-Methylxanthine
CID 70639
Enprofylline
CID 1676

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione (CID 11311) is 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione is Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCO.
What is the InChIKey of 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is DAAFJZUNCOXSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2.
What are the key properties of 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione?
2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 241.25 g/mol, XLogP of -2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 11311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).