2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine

C26H25F3N6O2 — CID 172586381

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(-c3c(OC)ncnc3C3CC3)ncc2C)cc1
InChIInChI=1S/C26H25F3N6O2/c1-4-35-12-19(26(27,28)29)33-23(35)18-7-5-16(6-8-18)13-37-24-15(2)11-30-22(34-24)20-21(17-9-10-17)31-14-32-25(20)36-3/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3
InChIKeyOMFFYHJWBOOZHU-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.61
Rot. Bonds8

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine (PubChem CID 172586381) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
PubChem CID172586381
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(-c3c(OC)ncnc3C3CC3)ncc2C)cc1
InChIInChI=1S/C26H25F3N6O2/c1-4-35-12-19(26(27,28)29)33-23(35)18-7-5-16(6-8-18)13-37-24-15(2)11-30-22(34-24)20-21(17-9-10-17)31-14-32-25(20)36-3/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3
InChIKeyOMFFYHJWBOOZHU-UHFFFAOYSA-N
XLogP5.61
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(2,2-difluoroethyl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586509
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(oxolan-3-yl)pyrimidine
CID 172586759
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidine
CID 172585643
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-3-methoxypyrazolo[3,4-d]pyrimidine
CID 151347313
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 172584079
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633
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
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(2-methylsulfanylethyl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrrolo[3,2-d]pyrimidine
CID 172584073
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[6-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-2-methylpyrazolo[4,3-d]pyrimidine
CID 172584557
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidine;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-3-methylsulfonylpyrazolo[3,4-d]pyrimidine;methane
CID 158067614

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine (CID 172586381) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(-c3c(OC)ncnc3C3CC3)ncc2C)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The InChIKey is OMFFYHJWBOOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-4-35-12-19(26(27,28)29)33-23(35)18-7-5-16(6-8-18)13-37-24-15(2)11-30-22(34-24)20-21(17-9-10-17)31-14-32-25(20)36-3/h5-8,11-12,14,17H,4,9-10,13H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine has a molecular weight of 510.52 g/mol, XLogP of 5.61, 8 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)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 172586381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).