2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C14H26N6O — CID 80995102

IUPAC2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCC(=O)NC(C)C
InChIInChI=1S/C14H26N6O/c1-8(2)17-10(21)7-16-11-9(3)12(20-15)19-13(18-11)14(4,5)6/h8H,7,15H2,1-6H3,(H,17,21)(H2,16,18,19,20)
InChIKeyQTMZRNZVQPQEDW-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.30
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80995102) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80995102
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCC(=O)NC(C)C
InChIInChI=1S/C14H26N6O/c1-8(2)17-10(21)7-16-11-9(3)12(20-15)19-13(18-11)14(4,5)6/h8H,7,15H2,1-6H3,(H,17,21)(H2,16,18,19,20)
InChIKeyQTMZRNZVQPQEDW-UHFFFAOYSA-N
XLogP1.30
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.30
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80995102) is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is Cc1c(NN)nc(C(C)(C)C)nc1NCC(=O)NC(C)C.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is QTMZRNZVQPQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-8(2)17-10(21)7-16-11-9(3)12(20-15)19-13(18-11)14(4,5)6/h8H,7,15H2,1-6H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80995102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).