2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H14F3N5 — CID 80925833

IUPAC2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccc2C)nc(NN)n1
InChIInChI=1S/C13H14F3N5/c1-7-3-4-9(13(14,15)16)6-10(7)19-11-5-8(2)18-12(20-11)21-17/h3-6H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyJQRHJCXYARRNOC-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.14
Rot. Bonds3

About 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80925833) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80925833
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccc2C)nc(NN)n1
InChIInChI=1S/C13H14F3N5/c1-7-3-4-9(13(14,15)16)6-10(7)19-11-5-8(2)18-12(20-11)21-17/h3-6H,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyJQRHJCXYARRNOC-UHFFFAOYSA-N
XLogP3.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919984
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
6-methyl-2-N-[4-(trifluoromethyl)phenyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112931359
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80926807
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80930783
N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79504007

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80925833) is 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2cc(C(F)(F)F)ccc2C)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is JQRHJCXYARRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-7-3-4-9(13(14,15)16)6-10(7)19-11-5-8(2)18-12(20-11)21-17/h3-6H,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80925833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).