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

C12H13F2N5O — CID 80917076

IUPACN-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(OC(F)F)cc2)nc(NN)n1
InChIInChI=1S/C12H13F2N5O/c1-7-6-10(18-12(16-7)19-15)17-8-2-4-9(5-3-8)20-11(13)14/h2-6,11H,15H2,1H3,(H2,16,17,18,19)
InChIKeySQPAIHZYEMXRAD-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.42
Rot. Bonds5

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

N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 80917076) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID80917076
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(OC(F)F)cc2)nc(NN)n1
InChIInChI=1S/C12H13F2N5O/c1-7-6-10(18-12(16-7)19-15)17-8-2-4-9(5-3-8)20-11(13)14/h2-6,11H,15H2,1H3,(H2,16,17,18,19)
InChIKeySQPAIHZYEMXRAD-UHFFFAOYSA-N
XLogP2.42
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.42
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-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
1-[3-(difluoromethoxy)phenyl]-3-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 122294586
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
4-N-(1,3-benzodioxol-5-yl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931121

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 80917076) is N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(OC(F)F)cc2)nc(NN)n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is SQPAIHZYEMXRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-7-6-10(18-12(16-7)19-15)17-8-2-4-9(5-3-8)20-11(13)14/h2-6,11H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 281.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80917076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).