2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C10H5ClF3N3 — CID 62814283

IUPAC2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Nc2ccnc(Cl)n2)cc(F)c1F
InChIInChI=1S/C10H5ClF3N3/c11-10-15-2-1-8(17-10)16-5-3-6(12)9(14)7(13)4-5/h1-4H,(H,15,16,17)
InChIKeyJXIJFLBMUVJAKK-UHFFFAOYSA-N
MW259.62 g/mol
LogP3.29
Rot. Bonds2

About 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine

2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 62814283) has the molecular formula C10H5ClF3N3 and a molecular weight of 259.62 g/mol. Its IUPAC name is 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID62814283
Molecular FormulaC10H5ClF3N3
Molecular Weight259.62 g/mol
Exact Mass259.01
IUPAC Name2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Nc2ccnc(Cl)n2)cc(F)c1F
InChIInChI=1S/C10H5ClF3N3/c11-10-15-2-1-8(17-10)16-5-3-6(12)9(14)7(13)4-5/h1-4H,(H,15,16,17)
InChIKeyJXIJFLBMUVJAKK-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
2-chloro-N-thiophen-3-ylpyrimidin-4-amine
CID 66354192
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
4-[(2-chloropyrimidin-4-yl)amino]benzoic acid
CID 51063735
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 62814283) is 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine is Fc1cc(Nc2ccnc(Cl)n2)cc(F)c1F.
What is the InChIKey of 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is JXIJFLBMUVJAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3/c11-10-15-2-1-8(17-10)16-5-3-6(12)9(14)7(13)4-5/h1-4H,(H,15,16,17).
What are the key properties of 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 259.62 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62814283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).