6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine

C15H18N6O2 — CID 23490122

IUPAC6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine
SMILESCN1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H18N6O2/c1-19-7-9-20(10-8-19)15-13(21(22)23)14(16-11-17-15)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18)
InChIKeyBOUXCINNEZEERY-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.88
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine (PubChem CID 23490122) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine
PubChem CID23490122
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine
SMILESCN1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H18N6O2/c1-19-7-9-20(10-8-19)15-13(21(22)23)14(16-11-17-15)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18)
InChIKeyBOUXCINNEZEERY-UHFFFAOYSA-N
XLogP1.88
TPSA87.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23490197
6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-phenylpyrimidin-4-amine
CID 22531858
6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-phenylpyrimidin-4-amine
CID 23490857
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23483494
N-(4-methoxyphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490505
6-(4-methylpiperazin-1-yl)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480793
4,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidine
CID 7584049
N-(4-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22532900
N-tert-butyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23478668
N'-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 23490177
N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23485641
N-(3-bromophenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490559

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine (CID 23490122) is 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine is CN1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine?
The InChIKey is BOUXCINNEZEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-19-7-9-20(10-8-19)15-13(21(22)23)14(16-11-17-15)18-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,18).
What are the key properties of 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine has a molecular weight of 314.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 23490122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).