4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H7F5N4 — CID 114563699

IUPAC4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4/c12-5-1-6(13)3-7(2-5)18-9-4-8(11(14,15)16)19-10(17)20-9/h1-4H,(H3,17,18,19,20)
InChIKeyHODOQZCTLBLFOW-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.10
Rot. Bonds2

About 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563699) has the molecular formula C11H7F5N4 and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563699
Molecular FormulaC11H7F5N4
Molecular Weight290.20 g/mol
Exact Mass290.06
IUPAC Name4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cc(F)cc(F)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4/c12-5-1-6(13)3-7(2-5)18-9-4-8(11(14,15)16)19-10(17)20-9/h1-4H,(H3,17,18,19,20)
InChIKeyHODOQZCTLBLFOW-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563699) is 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(Nc2cc(F)cc(F)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HODOQZCTLBLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4/c12-5-1-6(13)3-7(2-5)18-9-4-8(11(14,15)16)19-10(17)20-9/h1-4H,(H3,17,18,19,20).
What are the key properties of 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 290.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).