2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione

C7H9N5O2 — CID 135590519

IUPAC2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
SMILESCC1Nc2c(nc(N)[nH]c2=O)NC1=O
InChIInChI=1S/C7H9N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h2,9H,1H3,(H4,8,10,11,12,13,14)
InChIKeyYMBUGKJNMPKJLF-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.90
Rot. Bonds

About 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione

2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione (PubChem CID 135590519) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
PubChem CID135590519
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
SMILESCC1Nc2c(nc(N)[nH]c2=O)NC1=O
InChIInChI=1S/C7H9N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h2,9H,1H3,(H4,8,10,11,12,13,14)
InChIKeyYMBUGKJNMPKJLF-UHFFFAOYSA-N
XLogP-0.90
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The IUPAC name of 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione (CID 135590519) is 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione.
What is the SMILES notation for 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The canonical SMILES for 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione is CC1Nc2c(nc(N)[nH]c2=O)NC1=O.
What is the InChIKey of 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The InChIKey is YMBUGKJNMPKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h2,9H,1H3,(H4,8,10,11,12,13,14).
What are the key properties of 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione has a molecular weight of 195.18 g/mol, XLogP of -0.90, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione is sourced from PubChem (CID 135590519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).