2-amino-4a,8-dihydropteridine-4,7-dione

C6H5N5O2 — CID 135755303

IUPAC2-amino-4a,8-dihydropteridine-4,7-dione
SMILESNC1=NC(=O)C2N=CC(=O)NC2=N1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3H,(H3,7,9,10,11,12,13)
InChIKeyDLRHVWIHACTDAE-UHFFFAOYSA-N
MW179.14 g/mol
LogP-2.19
Rot. Bonds

About 2-amino-4a,8-dihydropteridine-4,7-dione

2-amino-4a,8-dihydropteridine-4,7-dione (PubChem CID 135755303) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-amino-4a,8-dihydropteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-4a,8-dihydropteridine-4,7-dione
PubChem CID135755303
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name2-amino-4a,8-dihydropteridine-4,7-dione
SMILESNC1=NC(=O)C2N=CC(=O)NC2=N1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3H,(H3,7,9,10,11,12,13)
InChIKeyDLRHVWIHACTDAE-UHFFFAOYSA-N
XLogP-2.19
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
Pteridine-2,4(3h,4ah)-dione
CID 23422119
4-(Dimethylamino)-4a,8-dihydropteridine-2,7-dione
CID 145918484
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
CID 57336529
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 57074695
2,8-Dihydropteridine-6,7-dione
CID 117653797
6,8-dihydro-2H-pteridin-7-one
CID 141033318
2-Amino-4a,5-dihydropteridine-4,6-dione
CID 23422048
4a,8-Dihydropteridine-4,7-dione
CID 23422151
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163

Frequently Asked Questions

What is the IUPAC name of 2-amino-4a,8-dihydropteridine-4,7-dione?
The IUPAC name of 2-amino-4a,8-dihydropteridine-4,7-dione (CID 135755303) is 2-amino-4a,8-dihydropteridine-4,7-dione.
What is the SMILES notation for 2-amino-4a,8-dihydropteridine-4,7-dione?
The canonical SMILES for 2-amino-4a,8-dihydropteridine-4,7-dione is NC1=NC(=O)C2N=CC(=O)NC2=N1.
What is the InChIKey of 2-amino-4a,8-dihydropteridine-4,7-dione?
The InChIKey is DLRHVWIHACTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3H,(H3,7,9,10,11,12,13).
What are the key properties of 2-amino-4a,8-dihydropteridine-4,7-dione?
2-amino-4a,8-dihydropteridine-4,7-dione has a molecular weight of 179.14 g/mol, XLogP of -2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4a,8-dihydropteridine-4,7-dione is sourced from PubChem (CID 135755303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).