2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde

C7H7N5O2 — CID 137003628

IUPAC2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
SMILESCn1c(C=O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O2/c1-12-3(2-13)9-4-5(12)10-7(8)11-6(4)14/h2H,1H3,(H3,8,10,11,14)
InChIKeyPVWJBRCTLTZQPO-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.95
Rot. Bonds1

About 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde

2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde (PubChem CID 137003628) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde.

Molecular Properties

Compound Name2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
PubChem CID137003628
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
SMILESCn1c(C=O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O2/c1-12-3(2-13)9-4-5(12)10-7(8)11-6(4)14/h2H,1H3,(H3,8,10,11,14)
InChIKeyPVWJBRCTLTZQPO-UHFFFAOYSA-N
XLogP-0.95
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
CID 175169311
2-amino-9-propan-2-yl-8-(trifluoromethyl)-1H-purin-6-one
CID 135999907
2-amino-6-[(1S,2S)-2-hydroxycyclohexyl]-8-methyl-3H-pteridine-4,7-dione
CID 136851603
2-amino-4-oxo-3H-pyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 135604539
3-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)propanoic acid
CID 137158185
2-amino-9-(2,4,5-trimethylphenyl)-1H-purin-6-one
CID 135958418
2-amino-9-hexyl-8-methyl-1H-purin-6-one
CID 135415609
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-(111C)methoxy-1H-purin-6-one
CID 177418333
2-amino-9-(3-methylphenyl)-1H-purin-6-one
CID 135416977
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
CID 137234569
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde?
The IUPAC name of 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde (CID 137003628) is 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde.
What is the SMILES notation for 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde?
The canonical SMILES for 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde is Cn1c(C=O)nc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde?
The InChIKey is PVWJBRCTLTZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-12-3(2-13)9-4-5(12)10-7(8)11-6(4)14/h2H,1H3,(H3,8,10,11,14).
What are the key properties of 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde?
2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde has a molecular weight of 193.17 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde is sourced from PubChem (CID 137003628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).