4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H12F4N4 — CID 106770416

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccc(F)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F4N4/c14-9-3-1-8(2-4-9)5-6-19-11-7-10(18)20-12(21-11)13(15,16)17/h1-4,7H,5-6H2,(H3,18,19,20,21)
InChIKeyIPEGEMLEMUSUKC-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.87
Rot. Bonds4

About 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770416) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770416
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccc(F)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F4N4/c14-9-3-1-8(2-4-9)5-6-19-11-7-10(18)20-12(21-11)13(15,16)17/h1-4,7H,5-6H2,(H3,18,19,20,21)
InChIKeyIPEGEMLEMUSUKC-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769978
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
3-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311801

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770416) is 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(NCCc2ccc(F)cc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IPEGEMLEMUSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4/c14-9-3-1-8(2-4-9)5-6-19-11-7-10(18)20-12(21-11)13(15,16)17/h1-4,7H,5-6H2,(H3,18,19,20,21).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 300.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).