2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

C11H19N5O2 — CID 135998860

IUPAC2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17)
InChIKeyCTRCLRVLIOTGED-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.37
Rot. Bonds2

About 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135998860) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135998860
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17)
InChIKeyCTRCLRVLIOTGED-UHFFFAOYSA-N
XLogP0.37
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135998860) is 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is CTRCLRVLIOTGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17).
What are the key properties of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 253.31 g/mol, XLogP of 0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135998860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).