N-tert-butyl-6-hydrazinylpyrimidin-4-amine

C8H15N5 — CID 80920027

IUPACN-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(NN)ncn1
InChIInChI=1S/C8H15N5/c1-8(2,3)12-6-4-7(13-9)11-5-10-6/h4-5H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyPLERFBKQAJIMGB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds2

About N-tert-butyl-6-hydrazinylpyrimidin-4-amine

N-tert-butyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80920027) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-tert-butyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80920027
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-tert-butyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(NN)ncn1
InChIInChI=1S/C8H15N5/c1-8(2,3)12-6-4-7(13-9)11-5-10-6/h4-5H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyPLERFBKQAJIMGB-UHFFFAOYSA-N
XLogP0.97
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.97
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

6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 80903091
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
N-tert-butyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 126848581
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112863770
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-hydrazinylpyrimidin-4-amine (CID 80920027) is N-tert-butyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-hydrazinylpyrimidin-4-amine is CC(C)(C)Nc1cc(NN)ncn1.
What is the InChIKey of N-tert-butyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PLERFBKQAJIMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-8(2,3)12-6-4-7(13-9)11-5-10-6/h4-5H,9H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N-tert-butyl-6-hydrazinylpyrimidin-4-amine?
N-tert-butyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 181.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80920027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).