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

C14H27N5O — CID 81006868

IUPAC2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
SMILESCOCCCCNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-10-11(16-8-6-7-9-20-5)17-13(14(2,3)4)18-12(10)19-15/h6-9,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyRJUSHIODTWUDRY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.21
Rot. Bonds7

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

2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine (PubChem CID 81006868) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
PubChem CID81006868
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
SMILESCOCCCCNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-10-11(16-8-6-7-9-20-5)17-13(14(2,3)4)18-12(10)19-15/h6-9,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyRJUSHIODTWUDRY-UHFFFAOYSA-N
XLogP2.21
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
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
N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 81007223
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
N-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80994504
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341033
2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine (CID 81006868) is 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine is COCCCCNc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine?
The InChIKey is RJUSHIODTWUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-10-11(16-8-6-7-9-20-5)17-13(14(2,3)4)18-12(10)19-15/h6-9,15H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81006868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).