4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine

C13H21N7 — CID 19152787

IUPAC4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)n(-c2ncnc(NNC(C)(C)C)c2N)n1
InChIInChI=1S/C13H21N7/c1-8-6-9(2)20(18-8)12-10(14)11(15-7-16-12)17-19-13(3,4)5/h6-7,19H,14H2,1-5H3,(H,15,16,17)
InChIKeyILBHLMDRVNNUFN-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.58
Rot. Bonds3

About 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine

4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine (PubChem CID 19152787) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
PubChem CID19152787
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
SMILESCc1cc(C)n(-c2ncnc(NNC(C)(C)C)c2N)n1
InChIInChI=1S/C13H21N7/c1-8-6-9(2)20(18-8)12-10(14)11(15-7-16-12)17-19-13(3,4)5/h6-7,19H,14H2,1-5H3,(H,15,16,17)
InChIKeyILBHLMDRVNNUFN-UHFFFAOYSA-N
XLogP1.58
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine (CID 19152787) is 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine is Cc1cc(C)n(-c2ncnc(NNC(C)(C)C)c2N)n1.
What is the InChIKey of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
The InChIKey is ILBHLMDRVNNUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-8-6-9(2)20(18-8)12-10(14)11(15-7-16-12)17-19-13(3,4)5/h6-7,19H,14H2,1-5H3,(H,15,16,17).
What are the key properties of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine?
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine has a molecular weight of 275.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19152787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).