2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine

C13H23N5 — CID 80964314

IUPAC2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCC2CCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-4-6-9/h7,9H,4-6,8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPQQBOBKKPHBNMH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.27
Rot. Bonds4

About 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80964314) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80964314
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCC2CCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-4-6-9/h7,9H,4-6,8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPQQBOBKKPHBNMH-UHFFFAOYSA-N
XLogP2.27
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-tert-butyl-6-chloro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80954111

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine (CID 80964314) is 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(NCC2CCC2)n1.
What is the InChIKey of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PQQBOBKKPHBNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-4-6-9/h7,9H,4-6,8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80964314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).