N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine

C11H10F2N6O2 — CID 80907475

IUPACN-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NCc2cc(F)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H10F2N6O2/c12-7-1-2-8(13)6(3-7)4-15-10-9(19(20)21)11(18-14)17-5-16-10/h1-3,5H,4,14H2,(H2,15,16,17,18)
InChIKeyPYEMWDNBYAOQJI-UHFFFAOYSA-N
MW296.24 g/mol
LogP1.56
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine

N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80907475) has the molecular formula C11H10F2N6O2 and a molecular weight of 296.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80907475
Molecular FormulaC11H10F2N6O2
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NCc2cc(F)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H10F2N6O2/c12-7-1-2-8(13)6(3-7)4-15-10-9(19(20)21)11(18-14)17-5-16-10/h1-3,5H,4,14H2,(H2,15,16,17,18)
InChIKeyPYEMWDNBYAOQJI-UHFFFAOYSA-N
XLogP1.56
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80930163
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079923
6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80904013
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
4-N-[(3-fluorophenyl)methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 112726833
4-N-[(3-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80771132
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
4-chloro-6-[(2,5-difluorophenyl)methylamino]pyrimidine-5-carbaldehyde
CID 66366956

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80907475) is N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(NCc2cc(F)ccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is PYEMWDNBYAOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N6O2/c12-7-1-2-8(13)6(3-7)4-15-10-9(19(20)21)11(18-14)17-5-16-10/h1-3,5H,4,14H2,(H2,15,16,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 296.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80907475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).