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

C6H5N5O2 — CID 23422048

IUPAC2-amino-4a,5-dihydropteridine-4,6-dione
SMILESNC1=NC(=O)C2NC(=O)C=NC2=N1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1,3H,(H,9,12)(H2,7,11,13)
InChIKeyQYLXZQMPNMGMIF-UHFFFAOYSA-N
MW179.14 g/mol
LogP-2.19
Rot. Bonds

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

2-amino-4a,5-dihydropteridine-4,6-dione (PubChem CID 23422048) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-amino-4a,5-dihydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-4a,5-dihydropteridine-4,6-dione
PubChem CID23422048
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name2-amino-4a,5-dihydropteridine-4,6-dione
SMILESNC1=NC(=O)C2NC(=O)C=NC2=N1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1,3H,(H,9,12)(H2,7,11,13)
InChIKeyQYLXZQMPNMGMIF-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

N-(2,6-Diamino-4,5-dihydro-4-oxo-5-pyrimidinyl)formamide
CID 122328
7,8-Dihydroxanthopterin
CID 136648281
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
2-Amino-3,4a,5,8a-tetrahydropteridine-4,6-dione
CID 178182201
4a,8-Dihydropteridine-4,7-dione
CID 23422151
2-Amino-4a,8-dihydropteridine-4,7-dione
CID 135755303
2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione
CID 135755304
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide
CID 141396646

Frequently Asked Questions

What is the IUPAC name of 2-amino-4a,5-dihydropteridine-4,6-dione?
The IUPAC name of 2-amino-4a,5-dihydropteridine-4,6-dione (CID 23422048) is 2-amino-4a,5-dihydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-4a,5-dihydropteridine-4,6-dione?
The canonical SMILES for 2-amino-4a,5-dihydropteridine-4,6-dione is NC1=NC(=O)C2NC(=O)C=NC2=N1.
What is the InChIKey of 2-amino-4a,5-dihydropteridine-4,6-dione?
The InChIKey is QYLXZQMPNMGMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1,3H,(H,9,12)(H2,7,11,13).
What are the key properties of 2-amino-4a,5-dihydropteridine-4,6-dione?
2-amino-4a,5-dihydropteridine-4,6-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,5-dihydropteridine-4,6-dione is sourced from PubChem (CID 23422048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).