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

C15H17N7O4 — CID 22526883

IUPACN-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N7O4/c23-21(24)12-7-5-11(6-8-12)19-20-15-13(22(25)26)14(16-9-17-15)18-10-3-1-2-4-10/h5-10,19H,1-4H2,(H2,16,17,18,20)
InChIKeyFTZBEQTWBKJWBF-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.09
Rot. Bonds7

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

N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine (PubChem CID 22526883) has the molecular formula C15H17N7O4 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
PubChem CID22526883
Molecular FormulaC15H17N7O4
Molecular Weight359.35 g/mol
Exact Mass359.13
IUPAC NameN-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N7O4/c23-21(24)12-7-5-11(6-8-12)19-20-15-13(22(25)26)14(16-9-17-15)18-10-3-1-2-4-10/h5-10,19H,1-4H2,(H2,16,17,18,20)
InChIKeyFTZBEQTWBKJWBF-UHFFFAOYSA-N
XLogP3.09
TPSA148.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.09
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

1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23487779
4-N-cycloheptyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486634
4-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528038
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536055
6-N-(2-chlorophenyl)-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
CID 22532107
4-N-cyclopentyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531987
N-hexadecyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 23494443
4-N-cycloheptyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528043
5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489914

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine (CID 22526883) is N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine is O=[N+]([O-])c1ccc(NNc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
The InChIKey is FTZBEQTWBKJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O4/c23-21(24)12-7-5-11(6-8-12)19-20-15-13(22(25)26)14(16-9-17-15)18-10-3-1-2-4-10/h5-10,19H,1-4H2,(H2,16,17,18,20).
What are the key properties of N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine?
N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine is sourced from PubChem (CID 22526883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).