N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine

C16H20N8O5 — CID 22526884

IUPACN-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NCCN3CCOCC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H20N8O5/c25-23(26)13-3-1-12(2-4-13)20-21-16-14(24(27)28)15(18-11-19-16)17-5-6-22-7-9-29-10-8-22/h1-4,11,20H,5-10H2,(H2,17,18,19,21)
InChIKeyGKPKEVQDLYSXQH-UHFFFAOYSA-N
MW404.39 g/mol
LogP1.48
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine (PubChem CID 22526884) has the molecular formula C16H20N8O5 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
PubChem CID22526884
Molecular FormulaC16H20N8O5
Molecular Weight404.39 g/mol
Exact Mass404.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NCCN3CCOCC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H20N8O5/c25-23(26)13-3-1-12(2-4-13)20-21-16-14(24(27)28)15(18-11-19-16)17-5-6-22-7-9-29-10-8-22/h1-4,11,20H,5-10H2,(H2,17,18,19,21)
InChIKeyGKPKEVQDLYSXQH-UHFFFAOYSA-N
XLogP1.48
TPSA160.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538128
1-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22533671
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
4-N-(4-butylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23478586
4-methyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536934
4-N-[(4-chlorophenyl)methyl]-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534952
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
4-N-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534185

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine (CID 22526884) is N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine is O=[N+]([O-])c1ccc(NNc2ncnc(NCCN3CCOCC3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The InChIKey is GKPKEVQDLYSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O5/c25-23(26)13-3-1-12(2-4-13)20-21-16-14(24(27)28)15(18-11-19-16)17-5-6-22-7-9-29-10-8-22/h1-4,11,20H,5-10H2,(H2,17,18,19,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine has a molecular weight of 404.39 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine is sourced from PubChem (CID 22526884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).