4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C17H11F5N4 — CID 112866617

IUPAC4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1F
InChIInChI=1S/C17H11F5N4/c18-13-6-5-12(7-14(13)19)26-16-8-15(23-9-24-16)25-11-3-1-10(2-4-11)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyBSHVRIOBPIIVLF-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.26
Rot. Bonds4

About 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112866617) has the molecular formula C17H11F5N4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112866617
Molecular FormulaC17H11F5N4
Molecular Weight366.29 g/mol
Exact Mass366.09
IUPAC Name4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1F
InChIInChI=1S/C17H11F5N4/c18-13-6-5-12(7-14(13)19)26-16-8-15(23-9-24-16)25-11-3-1-10(2-4-11)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyBSHVRIOBPIIVLF-UHFFFAOYSA-N
XLogP5.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350757

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112866617) is 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1F.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is BSHVRIOBPIIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4/c18-13-6-5-12(7-14(13)19)26-16-8-15(23-9-24-16)25-11-3-1-10(2-4-11)17(20,21)22/h1-9H,(H2,23,24,25,26).
What are the key properties of 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 366.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112866617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).