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

C6H7N5O2 — CID 135423456

IUPAC2-amino-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESNc1nc2c(c(=O)[nH]1)NC(=O)CN2
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13)
InChIKeyJLRDKNBQJOODBP-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.28
Rot. Bonds

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

2-amino-3,5,7,8-tetrahydropteridine-4,6-dione (PubChem CID 135423456) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3,5,7,8-tetrahydropteridine-4,6-dione
PubChem CID135423456
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-amino-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESNc1nc2c(c(=O)[nH]1)NC(=O)CN2
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13)
InChIKeyJLRDKNBQJOODBP-UHFFFAOYSA-N
XLogP-1.28
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Isoxanthopterin
CID 135398700
Xanthopterin
CID 135403800
6-Methyltetrahydropterin
CID 135443397
Leucopterin
CID 135403796
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
Formamide, N-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-
CID 135463573
4,6-Pteridinedione, 2-amino-3,5-dihydro-, hydrate (1:1)
CID 135465063
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
7,8-Dihydropterin
CID 135440520

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione?
The IUPAC name of 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione (CID 135423456) is 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione?
The canonical SMILES for 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione is Nc1nc2c(c(=O)[nH]1)NC(=O)CN2.
What is the InChIKey of 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione?
The InChIKey is JLRDKNBQJOODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13).
What are the key properties of 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione?
2-amino-3,5,7,8-tetrahydropteridine-4,6-dione has a molecular weight of 181.16 g/mol, XLogP of -1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione is sourced from PubChem (CID 135423456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).