2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine

C11H21N5 — CID 83024839

IUPAC2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(NN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C11H21N5/c1-11(2,3)10-13-8(12-4)7-9(14-10)15-16(5)6/h7H,1-6H3,(H2,12,13,14,15)
InChIKeyJNFZJFPSOPPRLH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds3

About 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine

2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine (PubChem CID 83024839) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
PubChem CID83024839
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(NN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C11H21N5/c1-11(2,3)10-13-8(12-4)7-9(14-10)15-16(5)6/h7H,1-6H3,(H2,12,13,14,15)
InChIKeyJNFZJFPSOPPRLH-UHFFFAOYSA-N
XLogP1.70
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine (CID 83024839) is 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine is CNc1cc(NN(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine?
The InChIKey is JNFZJFPSOPPRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-11(2,3)10-13-8(12-4)7-9(14-10)15-16(5)6/h7H,1-6H3,(H2,12,13,14,15).
What are the key properties of 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine?
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 83024839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).