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

C7H11N5O2 — CID 135484783

IUPAC2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(CO)CN2
InChIInChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h3,10,13H,1-2H2,(H4,8,9,11,12,14)
InChIKeyBOTGCSIOTOLSMF-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.45
Rot. Bonds1

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

2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135484783) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135484783
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(CO)CN2
InChIInChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h3,10,13H,1-2H2,(H4,8,9,11,12,14)
InChIKeyBOTGCSIOTOLSMF-UHFFFAOYSA-N
XLogP-1.45
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.45
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)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135484783) is 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is Nc1nc2c(c(=O)[nH]1)NC(CO)CN2.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is BOTGCSIOTOLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h3,10,13H,1-2H2,(H4,8,9,11,12,14).
What are the key properties of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 197.20 g/mol, XLogP of -1.45, 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)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135484783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).