2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one

C7H9N5O2 — CID 139242446

IUPAC2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(CO)=CN2
InChIInChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,10,13H,2H2,(H4,8,9,11,12,14)
InChIKeyWBDCDRVFOFIMIV-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.98
Rot. Bonds1

About 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one

2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one (PubChem CID 139242446) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one
PubChem CID139242446
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(CO)=CN2
InChIInChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,10,13H,2H2,(H4,8,9,11,12,14)
InChIKeyWBDCDRVFOFIMIV-UHFFFAOYSA-N
XLogP-0.98
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one (CID 139242446) is 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one is Nc1nc2c(c(=O)[nH]1)NC(CO)=CN2.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one?
The InChIKey is WBDCDRVFOFIMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,10,13H,2H2,(H4,8,9,11,12,14).
What are the key properties of 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one?
2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one has a molecular weight of 195.18 g/mol, XLogP of -0.98, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-5,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 139242446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).