N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine

C11H11F2N5O — CID 80916501

IUPACN-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2ccccc2OC(F)F)ncn1
InChIInChI=1S/C11H11F2N5O/c12-11(13)19-8-4-2-1-3-7(8)17-9-5-10(18-14)16-6-15-9/h1-6,11H,14H2,(H2,15,16,17,18)
InChIKeySLJUSOULYLSAAJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine

N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80916501) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80916501
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2ccccc2OC(F)F)ncn1
InChIInChI=1S/C11H11F2N5O/c12-11(13)19-8-4-2-1-3-7(8)17-9-5-10(18-14)16-6-15-9/h1-6,11H,14H2,(H2,15,16,17,18)
InChIKeySLJUSOULYLSAAJ-UHFFFAOYSA-N
XLogP2.11
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
CID 43329050

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine (CID 80916501) is N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2ccccc2OC(F)F)ncn1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is SLJUSOULYLSAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c12-11(13)19-8-4-2-1-3-7(8)17-9-5-10(18-14)16-6-15-9/h1-6,11H,14H2,(H2,15,16,17,18).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine?
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 267.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80916501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).