2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione

C8H9N5O3 — CID 135566048

IUPAC2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione
SMILESCn1c(=O)c(CO)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9N5O3/c1-13-5-4(6(15)12-8(9)11-5)10-3(2-14)7(13)16/h14H,2H2,1H3,(H3,9,11,12,15)
InChIKeyJEEFWMUINIMFQO-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.91
Rot. Bonds1

About 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione

2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione (PubChem CID 135566048) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione
PubChem CID135566048
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione
SMILESCn1c(=O)c(CO)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9N5O3/c1-13-5-4(6(15)12-8(9)11-5)10-3(2-14)7(13)16/h14H,2H2,1H3,(H3,9,11,12,15)
InChIKeyJEEFWMUINIMFQO-UHFFFAOYSA-N
XLogP-1.91
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione (CID 135566048) is 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione is Cn1c(=O)c(CO)nc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione?
The InChIKey is JEEFWMUINIMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c1-13-5-4(6(15)12-8(9)11-5)10-3(2-14)7(13)16/h14H,2H2,1H3,(H3,9,11,12,15).
What are the key properties of 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione?
2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione has a molecular weight of 223.19 g/mol, XLogP of -1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-8-methyl-3H-pteridine-4,7-dione is sourced from PubChem (CID 135566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).