6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine

C10H10N8 — CID 129275714

IUPAC6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
SMILESC=Nc1nc(Nc2cnn(C)c2)nc2nc[nH]c12
InChIInChI=1S/C10H10N8/c1-11-8-7-9(13-5-12-7)17-10(16-8)15-6-3-14-18(2)4-6/h3-5H,1H2,2H3,(H2,12,13,15,16,17)
InChIKeyHXVDTLVPDVGQJT-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.16
Rot. Bonds3

About 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine

6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine (PubChem CID 129275714) has the molecular formula C10H10N8 and a molecular weight of 242.25 g/mol. Its IUPAC name is 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
PubChem CID129275714
Molecular FormulaC10H10N8
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
SMILESC=Nc1nc(Nc2cnn(C)c2)nc2nc[nH]c12
InChIInChI=1S/C10H10N8/c1-11-8-7-9(13-5-12-7)17-10(16-8)15-6-3-14-18(2)4-6/h3-5H,1H2,2H3,(H2,12,13,15,16,17)
InChIKeyHXVDTLVPDVGQJT-UHFFFAOYSA-N
XLogP1.16
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
ST-1535
CID 9860294
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9856035
2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11673316
Dimethylaminopurine
CID 4312426
9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11608581
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682
N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
CID 162658440
2-N-(2-ethylpyrazol-3-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162660801

Frequently Asked Questions

What is the IUPAC name of 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine?
The IUPAC name of 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine (CID 129275714) is 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine is C=Nc1nc(Nc2cnn(C)c2)nc2nc[nH]c12.
What is the InChIKey of 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine?
The InChIKey is HXVDTLVPDVGQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8/c1-11-8-7-9(13-5-12-7)17-10(16-8)15-6-3-14-18(2)4-6/h3-5H,1H2,2H3,(H2,12,13,15,16,17).
What are the key properties of 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine?
6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine has a molecular weight of 242.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine is sourced from PubChem (CID 129275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).