2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol

C17H15ClF3N5O2 — CID 170095051

IUPAC2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
SMILESCOc1cc(CNc2nc(Cl)ncc2O)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C17H15ClF3N5O2/c1-26-8-13(17(19,20)21)24-15(26)10-4-3-9(5-12(10)28-2)6-22-14-11(27)7-23-16(18)25-14/h3-5,7-8,27H,6H2,1-2H3,(H,22,23,25)
InChIKeyKHCIFZZQMIMVOQ-UHFFFAOYSA-N
MW413.79 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol

2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol (PubChem CID 170095051) has the molecular formula C17H15ClF3N5O2 and a molecular weight of 413.79 g/mol. Its IUPAC name is 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
PubChem CID170095051
Molecular FormulaC17H15ClF3N5O2
Molecular Weight413.79 g/mol
Exact Mass413.09
IUPAC Name2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
SMILESCOc1cc(CNc2nc(Cl)ncc2O)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C17H15ClF3N5O2/c1-26-8-13(17(19,20)21)24-15(26)10-4-3-9(5-12(10)28-2)6-22-14-11(27)7-23-16(18)25-14/h3-5,7-8,27H,6H2,1-2H3,(H,22,23,25)
InChIKeyKHCIFZZQMIMVOQ-UHFFFAOYSA-N
XLogP3.88
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-iodo-N-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 170093611
5-bromo-2-chloro-N-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 165400933
2-chloro-4-[[2-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol
CID 170095142
2-chloro-5-methoxy-N-[[2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 175444723
CID 178151592
CID 178151592
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
methyl 3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172585882
2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585932
2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 170707221
2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxylic acid
CID 170973158
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
CID 172585539
tert-butyl 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
CID 172584004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol (CID 170095051) is 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol is COc1cc(CNc2nc(Cl)ncc2O)ccc1-c1nc(C(F)(F)F)cn1C.
What is the InChIKey of 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
The InChIKey is KHCIFZZQMIMVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O2/c1-26-8-13(17(19,20)21)24-15(26)10-4-3-9(5-12(10)28-2)6-22-14-11(27)7-23-16(18)25-14/h3-5,7-8,27H,6H2,1-2H3,(H,22,23,25).
What are the key properties of 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol?
2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol has a molecular weight of 413.79 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-ol is sourced from PubChem (CID 170095051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).