8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione

C11H16N4O3 — CID 171383891

IUPAC8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)n(C)c2=O)N(CCO)C1C
InChIInChI=1S/C11H16N4O3/c1-6-7(2)15(4-5-16)9-8(12-6)10(17)14(3)11(18)13-9/h7,16H,4-5H2,1-3H3,(H,13,18)
InChIKeyMZTSGBMTRLFIKX-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.63
Rot. Bonds2

About 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione

8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione (PubChem CID 171383891) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
PubChem CID171383891
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)n(C)c2=O)N(CCO)C1C
InChIInChI=1S/C11H16N4O3/c1-6-7(2)15(4-5-16)9-8(12-6)10(17)14(3)11(18)13-9/h7,16H,4-5H2,1-3H3,(H,13,18)
InChIKeyMZTSGBMTRLFIKX-UHFFFAOYSA-N
XLogP-0.63
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The IUPAC name of 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione (CID 171383891) is 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione.
What is the SMILES notation for 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The canonical SMILES for 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione is CC1=Nc2c([nH]c(=O)n(C)c2=O)N(CCO)C1C.
What is the InChIKey of 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The InChIKey is MZTSGBMTRLFIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6-7(2)15(4-5-16)9-8(12-6)10(17)14(3)11(18)13-9/h7,16H,4-5H2,1-3H3,(H,13,18).
What are the key properties of 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione is sourced from PubChem (CID 171383891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).