2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide

C14H26N6O — CID 106347652

IUPAC2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C(N)=O)C(C)C
InChIInChI=1S/C14H26N6O/c1-7(2)9(10(15)21)17-11-8(3)12(20-16)19-13(18-11)14(4,5)6/h7,9H,16H2,1-6H3,(H2,15,21)(H2,17,18,19,20)
InChIKeyJUVHKQPEKXZPII-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.29
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106347652) 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]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106347652
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NC(C(N)=O)C(C)C
InChIInChI=1S/C14H26N6O/c1-7(2)9(10(15)21)17-11-8(3)12(20-16)19-13(18-11)14(4,5)6/h7,9H,16H2,1-6H3,(H2,15,21)(H2,17,18,19,20)
InChIKeyJUVHKQPEKXZPII-UHFFFAOYSA-N
XLogP1.29
TPSA118.95 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 ≤ 51.29
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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Related Compounds

2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 104830685
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 81007643
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064
2-N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950187
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347539
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106347643
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
CID 106347482
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106345572

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106347652) is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide is Cc1c(NN)nc(C(C)(C)C)nc1NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is JUVHKQPEKXZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-7(2)9(10(15)21)17-11-8(3)12(20-16)19-13(18-11)14(4,5)6/h7,9H,16H2,1-6H3,(H2,15,21)(H2,17,18,19,20).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 1.29, 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]-3-methylbutanamide is sourced from PubChem (CID 106347652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).