2-amino-3,5-dihydropteridine-4,6-dione

C6H5N5O2 — CID 135403800

IUPAC2-amino-3,5-dihydropteridine-4,6-dione
SMILESNc1nc2ncc(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKeyVURKRJGMSKJIQX-UHFFFAOYSA-N
MW179.14 g/mol
LogP-1.41
Rot. Bonds

About 2-amino-3,5-dihydropteridine-4,6-dione

2-amino-3,5-dihydropteridine-4,6-dione (PubChem CID 135403800) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-amino-3,5-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3,5-dihydropteridine-4,6-dione
PubChem CID135403800
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name2-amino-3,5-dihydropteridine-4,6-dione
SMILESNc1nc2ncc(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKeyVURKRJGMSKJIQX-UHFFFAOYSA-N
XLogP-1.41
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Isoxanthopterin
CID 135398700
Leucopterin
CID 135403796
Violapterin
CID 75734
2-amino-3-methyl-8H-pteridine-4,7-dione
CID 8853189
2-amino-8-methyl-4,7(3H,8H)-pteridinedione
CID 135508303
2,4,6(3H)-Pteridinetrione, 1,5-dihydro-
CID 75733
4,6-Pteridinedione, 2-amino-3,5-dihydro-, hydrate (1:1)
CID 135465063
7,8-Dihydropterin
CID 135440520
Tetrahydropterin
CID 135453284
4(3H)-Pteridinone, 7,8-dihydro-
CID 135743866
4,6-Pteridinedione, 2-amino-1,5,7,8-tetrahydro-
CID 135423456
pteridine-4,7(3H,8H)-dione
CID 135478033

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dihydropteridine-4,6-dione?
The IUPAC name of 2-amino-3,5-dihydropteridine-4,6-dione (CID 135403800) is 2-amino-3,5-dihydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-3,5-dihydropteridine-4,6-dione?
The canonical SMILES for 2-amino-3,5-dihydropteridine-4,6-dione is Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-3,5-dihydropteridine-4,6-dione?
The InChIKey is VURKRJGMSKJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13).
What are the key properties of 2-amino-3,5-dihydropteridine-4,6-dione?
2-amino-3,5-dihydropteridine-4,6-dione has a molecular weight of 179.14 g/mol, XLogP of -1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dihydropteridine-4,6-dione is sourced from PubChem (CID 135403800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).