2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

C32H33F3N6O2 — CID 172586561

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCCC1CC=C(c2cnc(-c3c(OC)ncnc3C3CC3)nc2OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)CC1
InChIInChI=1S/C32H33F3N6O2/c1-4-19-5-9-21(10-6-19)24-15-36-28(26-27(22-13-14-22)37-18-38-31(26)42-3)40-30(24)43-17-20-7-11-23(12-8-20)29-39-25(16-41(29)2)32(33,34)35/h7-9,11-12,15-16,18-19,22H,4-6,10,13-14,17H2,1-3H3
InChIKeyKQXABGJCUJKTOZ-UHFFFAOYSA-N
MW590.65 g/mol
LogP7.41
Rot. Bonds9

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (PubChem CID 172586561) has the molecular formula C32H33F3N6O2 and a molecular weight of 590.65 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
PubChem CID172586561
Molecular FormulaC32H33F3N6O2
Molecular Weight590.65 g/mol
Exact Mass590.26
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCCC1CC=C(c2cnc(-c3c(OC)ncnc3C3CC3)nc2OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)CC1
InChIInChI=1S/C32H33F3N6O2/c1-4-19-5-9-21(10-6-19)24-15-36-28(26-27(22-13-14-22)37-18-38-31(26)42-3)40-30(24)43-17-20-7-11-23(12-8-20)29-39-25(16-41(29)2)32(33,34)35/h7-9,11-12,15-16,18-19,22H,4-6,10,13-14,17H2,1-3H3
InChIKeyKQXABGJCUJKTOZ-UHFFFAOYSA-N
XLogP7.41
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.65
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384
N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
CID 162396657
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
2-(4-Benzyloxy-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872390
Brd4 D1-IN-1
CID 163196283
Brd4 D1-IN-2
CID 163196284
2-[(3S)-3-[5-[2-(3-ethyl-5-methylphenoxy)pyrimidin-4-yl]-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 166119758
2-(3-Ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine
CID 166119760
2-[4-[5-[2-(3-ethyl-5-methylphenoxy)pyrimidin-4-yl]-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 166119761
2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethyl)pyridin-4-yl)pyrimidine
CID 76280987
5-(3,5-difluorophenyl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 76281515
2-Methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethyl)phenyl)pyrimidine
CID 76281517

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (CID 172586561) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is CCC1CC=C(c2cnc(-c3c(OC)ncnc3C3CC3)nc2OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)CC1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The InChIKey is KQXABGJCUJKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2/c1-4-19-5-9-21(10-6-19)24-15-36-28(26-27(22-13-14-22)37-18-38-31(26)42-3)40-30(24)43-17-20-7-11-23(12-8-20)29-39-25(16-41(29)2)32(33,34)35/h7-9,11-12,15-16,18-19,22H,4-6,10,13-14,17H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine has a molecular weight of 590.65 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-ethylcyclohexen-1-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is sourced from PubChem (CID 172586561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).