2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol

C16H12ClF4N5O — CID 170095142

IUPAC2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2O)c(F)c1
InChIInChI=1S/C16H12ClF4N5O/c1-26-7-12(16(19,20)21)24-14(26)8-2-3-9(10(18)4-8)5-22-13-11(27)6-23-15(17)25-13/h2-4,6-7,27H,5H2,1H3,(H,22,23,25)
InChIKeyBRKYEIBCVCDTAE-UHFFFAOYSA-N
MW401.75 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol

2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol (PubChem CID 170095142) has the molecular formula C16H12ClF4N5O and a molecular weight of 401.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
PubChem CID170095142
Molecular FormulaC16H12ClF4N5O
Molecular Weight401.75 g/mol
Exact Mass401.07
IUPAC Name2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2O)c(F)c1
InChIInChI=1S/C16H12ClF4N5O/c1-26-7-12(16(19,20)21)24-14(26)8-2-3-9(10(18)4-8)5-22-13-11(27)6-23-15(17)25-13/h2-4,6-7,27H,5H2,1H3,(H,22,23,25)
InChIKeyBRKYEIBCVCDTAE-UHFFFAOYSA-N
XLogP4.01
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.75
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol with MolForge

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Related Compounds

2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 175444723
2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
CID 170095051
5-bromo-2-chloro-N-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 165400933
CID 178151592
CID 178151592
[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881354
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
2-chloro-5-iodo-N-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 170093611
2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585932
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
CID 172585539
2,8-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine
CID 166094820
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 172586154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol (CID 170095142) is 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol is Cn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2O)c(F)c1.
What is the InChIKey of 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The InChIKey is BRKYEIBCVCDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N5O/c1-26-7-12(16(19,20)21)24-14(26)8-2-3-9(10(18)4-8)5-22-13-11(27)6-23-15(17)25-13/h2-4,6-7,27H,5H2,1H3,(H,22,23,25).
What are the key properties of 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol has a molecular weight of 401.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol is sourced from PubChem (CID 170095142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).