2-(ethoxymethyl)-3H-pteridin-4-one

C9H10N4O2 — CID 135418284

IUPAC2-(ethoxymethyl)-3H-pteridin-4-one
SMILESCCOCc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)
InChIKeySFWVULIFVPNTOF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.25
Rot. Bonds3

About 2-(ethoxymethyl)-3H-pteridin-4-one

2-(ethoxymethyl)-3H-pteridin-4-one (PubChem CID 135418284) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-3H-pteridin-4-one
PubChem CID135418284
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(ethoxymethyl)-3H-pteridin-4-one
SMILESCCOCc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)
InChIKeySFWVULIFVPNTOF-UHFFFAOYSA-N
XLogP0.25
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pterin
CID 135398660
6-(Hydroxymethyl)pterin
CID 135415975
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
6-Formylpterin
CID 135409352
Pteridin-4-ol
CID 135460266
2-Acetylamino-4-hydroxy-6-formylpteridine
CID 135447887
6-methyl-2-pivaloylamino-4(3H)-pteridinone
CID 135423678
2-amino-6-hex-1-ynyl-3H-pteridin-4-one
CID 135925131
7-Methylpterin
CID 135431315
Dimethylpterin
CID 135443570
3-Amino-N-methylpyrazine-2-carboxamide
CID 10820748
2-amino-4-oxo-3H-pteridine-7-carboxamide
CID 136025898

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3H-pteridin-4-one?
The IUPAC name of 2-(ethoxymethyl)-3H-pteridin-4-one (CID 135418284) is 2-(ethoxymethyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-(ethoxymethyl)-3H-pteridin-4-one?
The canonical SMILES for 2-(ethoxymethyl)-3H-pteridin-4-one is CCOCc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-3H-pteridin-4-one?
The InChIKey is SFWVULIFVPNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14).
What are the key properties of 2-(ethoxymethyl)-3H-pteridin-4-one?
2-(ethoxymethyl)-3H-pteridin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3H-pteridin-4-one is sourced from PubChem (CID 135418284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).