[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine

C13H20N6 — CID 81001897

IUPAC[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1-n1ccnc1C
InChIInChI=1S/C13H20N6/c1-8-10(18-14)16-12(13(3,4)5)17-11(8)19-7-6-15-9(19)2/h6-7H,14H2,1-5H3,(H,16,17,18)
InChIKeyFLCBENQDTDFHTD-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.86
Rot. Bonds2

About [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 81001897) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID81001897
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1-n1ccnc1C
InChIInChI=1S/C13H20N6/c1-8-10(18-14)16-12(13(3,4)5)17-11(8)19-7-6-15-9(19)2/h6-7H,14H2,1-5H3,(H,16,17,18)
InChIKeyFLCBENQDTDFHTD-UHFFFAOYSA-N
XLogP1.86
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80991880
[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 81000939
(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
[3,5-dichloro-6-(2-methylimidazol-1-yl)-2-pyridinyl]hydrazine
CID 102762674
N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125
[2,5-dimethyl-6-(2-propylimidazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80903201
6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110430499
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
2-tert-butyl-4-chloro-6-(2-methylimidazol-1-yl)pyrimidine
CID 80951019
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
2-cyclopropyl-5-methyl-6-(2-methylimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80992611

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine (CID 81001897) is [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)(C)C)nc1-n1ccnc1C.
What is the InChIKey of [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is FLCBENQDTDFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-8-10(18-14)16-12(13(3,4)5)17-11(8)19-7-6-15-9(19)2/h6-7H,14H2,1-5H3,(H,16,17,18).
What are the key properties of [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 260.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).