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

C11H19N5O2 — CID 135998865

IUPAC2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)COCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-6(2)4-18-5-7-3-13-9-8(14-7)10(17)16-11(12)15-9/h6-7,14H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyONXMXDDCFPHWTB-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.23
Rot. Bonds4

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

2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135998865) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135998865
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)COCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O2/c1-6(2)4-18-5-7-3-13-9-8(14-7)10(17)16-11(12)15-9/h6-7,14H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyONXMXDDCFPHWTB-UHFFFAOYSA-N
XLogP0.23
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617
2-amino-6-(butoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998862
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
2-amino-6-[(2S)-1,2-dihydroxyhexyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 170057866
4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoate
CID 135926603
2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
CID 135626456
(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylpentanedioic acid
CID 137234713
[1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)-1-(pyrrolidine-2-carbonyloxy)propan-2-yl] pyrrolidine-2-carboxylate;trihydrochloride
CID 140539158
(2S)-2-[[5-[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-hydroxypropan-2-yl]oxy-5-oxopentanoyl]amino]propanoic acid
CID 136638718
calcium;2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylpentanedioic acid;hydride
CID 175061991
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;pyrrolidine-2-carboxylic acid
CID 143832258

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135998865) is 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(C)COCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is ONXMXDDCFPHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6(2)4-18-5-7-3-13-9-8(14-7)10(17)16-11(12)15-9/h6-7,14H,3-5H2,1-2H3,(H4,12,13,15,16,17).
What are the key properties of 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 253.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135998865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).