2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C15H29N5 — CID 104830685

IUPAC2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C)C(C)(C)C
InChIInChI=1S/C15H29N5/c1-9-11(17-10(2)14(3,4)5)18-13(15(6,7)8)19-12(9)20-16/h10H,16H2,1-8H3,(H2,17,18,19,20)
InChIKeyKUMHBAMSPQPMKV-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.21
Rot. Bonds3

About 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine

2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 104830685) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID104830685
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C)C(C)(C)C
InChIInChI=1S/C15H29N5/c1-9-11(17-10(2)14(3,4)5)18-13(15(6,7)8)19-12(9)20-16/h10H,16H2,1-8H3,(H2,17,18,19,20)
InChIKeyKUMHBAMSPQPMKV-UHFFFAOYSA-N
XLogP3.21
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.21
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

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950187
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 81007223
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 104830685) is 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)nc(C(C)(C)C)nc1NC(C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is KUMHBAMSPQPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-9-11(17-10(2)14(3,4)5)18-13(15(6,7)8)19-12(9)20-16/h10H,16H2,1-8H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104830685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).