2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione

C6H7N5O2 — CID 57336529

IUPAC2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
SMILESNC1=NC2NC(=O)C=NC2C(=O)N1
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3-4H,(H,9,12)(H3,7,10,11,13)
InChIKeyCMOXKYQQTMHEHE-UHFFFAOYSA-N
MW181.16 g/mol
LogP-2.67
Rot. Bonds

About 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione

2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione (PubChem CID 57336529) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
PubChem CID57336529
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
SMILESNC1=NC2NC(=O)C=NC2C(=O)N1
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3-4H,(H,9,12)(H3,7,10,11,13)
InChIKeyCMOXKYQQTMHEHE-UHFFFAOYSA-N
XLogP-2.67
TPSA108.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-2.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 57074695
2-methyl-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129133631
2-amino-8-propan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129133637
2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129144078
2-amino-8-butan-2-yl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129144079
1,4a,5,8a-Tetrahydropteridine-2,4,6-trione
CID 156899737
(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium
CID 163798365
2-Amino-3,4a,5,8a-tetrahydropteridine-4,6-dione
CID 178182201
2-Amino-5-ureido-4,6-pyrimidinedione
CID 4328517
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-3,4a,8,8a-tetrahydropteridine-4,7-dione?
The IUPAC name of 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione (CID 57336529) is 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione.
What is the SMILES notation for 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione?
The canonical SMILES for 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione is NC1=NC2NC(=O)C=NC2C(=O)N1.
What is the InChIKey of 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione?
The InChIKey is CMOXKYQQTMHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1,3-4H,(H,9,12)(H3,7,10,11,13).
What are the key properties of 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione?
2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione has a molecular weight of 181.16 g/mol, XLogP of -2.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4a,8,8a-tetrahydropteridine-4,7-dione is sourced from PubChem (CID 57336529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).