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-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine
CID 129275918
5-amino-4-[(1-methylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136974016
N-[3-methyl-4-(methylideneamino)phenyl]-6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
CID 145496997
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
CID 164740937
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
4-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266663

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).