2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C12H7ClF5N3 — CID 114562635

IUPAC2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(F)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H7ClF5N3/c13-11-20-9(12(16,17)18)4-10(21-11)19-5-6-3-7(14)1-2-8(6)15/h1-4H,5H2,(H,19,20,21)
InChIKeySBJAOKUDQVCPEJ-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562635) has the molecular formula C12H7ClF5N3 and a molecular weight of 323.65 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562635
Molecular FormulaC12H7ClF5N3
Molecular Weight323.65 g/mol
Exact Mass323.02
IUPAC Name2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(F)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H7ClF5N3/c13-11-20-9(12(16,17)18)4-10(21-11)19-5-6-3-7(14)1-2-8(6)15/h1-4H,5H2,(H,19,20,21)
InChIKeySBJAOKUDQVCPEJ-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
CID 106197136
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562584
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562635) is 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Fc1ccc(F)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SBJAOKUDQVCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF5N3/c13-11-20-9(12(16,17)18)4-10(21-11)19-5-6-3-7(14)1-2-8(6)15/h1-4H,5H2,(H,19,20,21).
What are the key properties of 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 323.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).