6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine

C12H8ClF4N3 — CID 63729794

IUPAC6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF4N3/c1-6-10(13)18-5-19-11(6)20-7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3,(H,18,19,20)
InChIKeySDQHFRPCSSSEJQ-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.34
Rot. Bonds2

About 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine

6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine (PubChem CID 63729794) has the molecular formula C12H8ClF4N3 and a molecular weight of 305.66 g/mol. Its IUPAC name is 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
PubChem CID63729794
Molecular FormulaC12H8ClF4N3
Molecular Weight305.66 g/mol
Exact Mass305.03
IUPAC Name6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF4N3/c1-6-10(13)18-5-19-11(6)20-7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3,(H,18,19,20)
InChIKeySDQHFRPCSSSEJQ-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 63736450
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine (CID 63729794) is 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine?
The InChIKey is SDQHFRPCSSSEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3/c1-6-10(13)18-5-19-11(6)20-7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine has a molecular weight of 305.66 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63729794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).