6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine

C13H24N8O2 — CID 22526414

IUPAC6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
SMILESCN1CCN(Nc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H24N8O2/c1-13(2,3)18-16-11-10(21(22)23)12(15-9-14-11)17-20-7-5-19(4)6-8-20/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGULUMDXWIUPZJL-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.67
Rot. Bonds5

About 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 22526414) has the molecular formula C13H24N8O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID22526414
Molecular FormulaC13H24N8O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
SMILESCN1CCN(Nc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H24N8O2/c1-13(2,3)18-16-11-10(21(22)23)12(15-9-14-11)17-20-7-5-19(4)6-8-20/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyGULUMDXWIUPZJL-UHFFFAOYSA-N
XLogP0.67
TPSA111.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22526349
6-N-(4-iodophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 22526362
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 23484186
N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526399
6-N-(2-ethylphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 23482643
6-N-(2,5-dichlorophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 22526342
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22526326
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22537563
2,4-dichloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526397
2-[cyanomethyl-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]amino]acetonitrile
CID 23493285

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CID 22526414) is 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine is CN1CCN(Nc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is GULUMDXWIUPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8O2/c1-13(2,3)18-16-11-10(21(22)23)12(15-9-14-11)17-20-7-5-19(4)6-8-20/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22526414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).