6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine

C11H20N6O2 — CID 23487405

IUPAC6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-5-6-12-9-8(17(18)19)10(14-7-13-9)15-16-11(2,3)4/h7,16H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyOCLJNGFKXTZXCY-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.92
Rot. Bonds6

About 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 23487405) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
PubChem CID23487405
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-5-6-12-9-8(17(18)19)10(14-7-13-9)15-16-11(2,3)4/h7,16H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyOCLJNGFKXTZXCY-UHFFFAOYSA-N
XLogP1.92
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23486807
N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22537563
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482737
5-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324058
4-N-(3-methylsulfanylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839278
6-[(2-methylpropan-2-yl)oxy]-5-nitro-N-propylpyrimidin-4-amine
CID 80861313
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
4-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80791731

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine (CID 23487405) is 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is OCLJNGFKXTZXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-5-6-12-9-8(17(18)19)10(14-7-13-9)15-16-11(2,3)4/h7,16H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 23487405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).