6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

C13H10ClF6N5 — CID 73002031

IUPAC6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C13H10ClF6N5/c1-4(13(18,19)20)22-11-9(10(14)23-12(24-11)25-21)8-6(16)2-5(15)3-7(8)17/h2-4H,21H2,1H3,(H2,22,23,24,25)
InChIKeyAGLPZOOTVWMEOI-UHFFFAOYSA-N
MW385.70 g/mol
LogP3.86
Rot. Bonds4

About 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (PubChem CID 73002031) has the molecular formula C13H10ClF6N5 and a molecular weight of 385.70 g/mol. Its IUPAC name is 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
PubChem CID73002031
Molecular FormulaC13H10ClF6N5
Molecular Weight385.70 g/mol
Exact Mass385.05
IUPAC Name6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(NN)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C13H10ClF6N5/c1-4(13(18,19)20)22-11-9(10(14)23-12(24-11)25-21)8-6(16)2-5(15)3-7(8)17/h2-4H,21H2,1H3,(H2,22,23,24,25)
InChIKeyAGLPZOOTVWMEOI-UHFFFAOYSA-N
XLogP3.86
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.70
LogP ≤ 53.86
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-chloro-2-N-(propan-2-ylideneamino)-5-(2,4,6-trifluorophenyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-2,4-diamine
CID 86606161
6-chloro-2-(2-phenylhydrazinyl)-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 59833601
6-chloro-2-pyrazin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11281927
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
CID 149159512
6-chloro-5-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-2-pyrazol-1-yl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11785418
6-chloro-5-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-2-pyrazol-1-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11329598
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
CID 161092415
1-[4-(butan-2-ylamino)-6-chloro-5-(2,4,6-trifluorophenyl)pyrimidin-2-yl]pyrazolidin-3-one
CID 25145602
7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
CID 87887705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (CID 73002031) is 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is CC(Nc1nc(NN)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The InChIKey is AGLPZOOTVWMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF6N5/c1-4(13(18,19)20)22-11-9(10(14)23-12(24-11)25-21)8-6(16)2-5(15)3-7(8)17/h2-4H,21H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine has a molecular weight of 385.70 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 73002031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).