2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione

C7H9N5O2 — CID 129144078

IUPAC2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCN1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C7H9N5O2/c1-12-3(13)2-9-4-5(12)10-7(8)11-6(4)14/h2,4-5H,1H3,(H3,8,10,11,14)
InChIKeyIYMIGUYIVNINTD-UHFFFAOYSA-N
MW195.18 g/mol
LogP-2.33
Rot. Bonds

About 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione

2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione (PubChem CID 129144078) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
PubChem CID129144078
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
SMILESCN1C(=O)C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C7H9N5O2/c1-12-3(13)2-9-4-5(12)10-7(8)11-6(4)14/h2,4-5H,1H3,(H3,8,10,11,14)
InChIKeyIYMIGUYIVNINTD-UHFFFAOYSA-N
XLogP-2.33
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-2.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 129366440
2-amino-9-(2-hydroxyethoxymethyl)-4,5-dihydro-1H-purin-6-one
CID 2784002
(4R,5R)-2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4,5-dihydro-1H-purin-6-one
CID 99905775
2-amino-4-(3-tert-butyl-1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
CID 83093819
[(2S)-2-[[(4R,5S)-2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl]methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate
CID 97289464
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 3006944
2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-4,5-dihydro-1H-purin-6-one
CID 137465931
2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 166638391
2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
CID 83136823
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
N-[(4S,5S)-9-acetyl-6-oxo-4,5-dihydro-1H-purin-2-yl]acetamide
CID 37029884
2-amino-4-(6-methyl-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 104824181

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione (CID 129144078) is 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione is CN1C(=O)C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione?
The InChIKey is IYMIGUYIVNINTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-12-3(13)2-9-4-5(12)10-7(8)11-6(4)14/h2,4-5H,1H3,(H3,8,10,11,14).
What are the key properties of 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione?
2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione has a molecular weight of 195.18 g/mol, XLogP of -2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione is sourced from PubChem (CID 129144078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).