2-amino-6-(hydroxymethyl)-3H-pteridin-4-one

C7H7N5O2 — CID 135415975

IUPAC2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CO)nc2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKeyXGWIBNWDLMIPNF-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.21
Rot. Bonds1

About 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one

2-amino-6-(hydroxymethyl)-3H-pteridin-4-one (PubChem CID 135415975) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
PubChem CID135415975
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CO)nc2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKeyXGWIBNWDLMIPNF-UHFFFAOYSA-N
XLogP-1.21
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one (CID 135415975) is 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one is Nc1nc2ncc(CO)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one?
The InChIKey is XGWIBNWDLMIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14).
What are the key properties of 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one?
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one has a molecular weight of 193.17 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one is sourced from PubChem (CID 135415975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).