2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C14H28N6 — CID 82950187

IUPAC2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C)CN(C)C
InChIInChI=1S/C14H28N6/c1-9(8-20(6)7)16-11-10(2)12(19-15)18-13(17-11)14(3,4)5/h9H,8,15H2,1-7H3,(H2,16,17,18,19)
InChIKeyQEPKIGJGMWPXSS-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.73
Rot. Bonds5

About 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82950187) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82950187
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C)CN(C)C
InChIInChI=1S/C14H28N6/c1-9(8-20(6)7)16-11-10(2)12(19-15)18-13(17-11)14(3,4)5/h9H,8,15H2,1-7H3,(H2,16,17,18,19)
InChIKeyQEPKIGJGMWPXSS-UHFFFAOYSA-N
XLogP1.73
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.73
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'}

Analyze 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 104830685
N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 81007223
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
2-N-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80995334
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82950187) is 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is Cc1c(NN)nc(C(C)(C)C)nc1NC(C)CN(C)C.
What is the InChIKey of 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QEPKIGJGMWPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-9(8-20(6)7)16-11-10(2)12(19-15)18-13(17-11)14(3,4)5/h9H,8,15H2,1-7H3,(H2,16,17,18,19).
What are the key properties of 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82950187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).