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

C8H14N6O — CID 135409922

IUPAC2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCNCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
InChIKeyLHIQNSIRCHEIBK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.22
Rot. Bonds2

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

2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135409922) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135409922
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCNCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15)
InChIKeyLHIQNSIRCHEIBK-UHFFFAOYSA-N
XLogP-1.22
TPSA107.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135409922) is 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CNCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is LHIQNSIRCHEIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c1-10-2-4-3-11-6-5(12-4)7(15)14-8(9)13-6/h4,10,12H,2-3H2,1H3,(H4,9,11,13,14,15).
What are the key properties of 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 210.24 g/mol, XLogP of -1.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methylaminomethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135409922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).