2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C15H29N5O — CID 114944808

IUPAC2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C15H29N5O/c1-8-21-15(6,7)9-17-11-10(2)12(20-16)19-13(18-11)14(3,4)5/h8-9,16H2,1-7H3,(H2,17,18,19,20)
InChIKeyMXIXKGJOKUALCJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.60
Rot. Bonds6

About 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 114944808) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID114944808
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C15H29N5O/c1-8-21-15(6,7)9-17-11-10(2)12(20-16)19-13(18-11)14(3,4)5/h8-9,16H2,1-7H3,(H2,17,18,19,20)
InChIKeyMXIXKGJOKUALCJ-UHFFFAOYSA-N
XLogP2.60
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
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-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 114944722
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006921
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
6-hydrazinyl-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propylpyrimidin-4-amine
CID 113451063
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 114944808) is 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is CCOC(C)(C)CNc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is MXIXKGJOKUALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-8-21-15(6,7)9-17-11-10(2)12(20-16)19-13(18-11)14(3,4)5/h8-9,16H2,1-7H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114944808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).