2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C8H13N5O2 — CID 135546356

IUPAC2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H13N5O2/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14)
InChIKeyNYYQUHWTDLZHIU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.80
Rot. Bonds2

About 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135546356) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135546356
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H13N5O2/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14)
InChIKeyNYYQUHWTDLZHIU-UHFFFAOYSA-N
XLogP-0.80
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135546356) is 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is COCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is NYYQUHWTDLZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14).
What are the key properties of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 211.22 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135546356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).