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

C11H10F3N5 — CID 80927860

IUPAC6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNNc1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-10(19-15)17-6-16-9/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyHDZYSDTWSSNQCH-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.52
Rot. Bonds3

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

6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80927860) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80927860
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNNc1cc(Nc2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-10(19-15)17-6-16-9/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyHDZYSDTWSSNQCH-UHFFFAOYSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.52
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

6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
1-[4-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866563
3-[[6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866576
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112860419

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80927860) is 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is NNc1cc(Nc2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HDZYSDTWSSNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-10(19-15)17-6-16-9/h1-6H,15H2,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 269.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80927860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).