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

C24H21F3N6O2 — CID 172585633

IUPAC4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nccc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1
InChIInChI=1S/C24H21F3N6O2/c1-33-11-17(24(25,26)27)31-22(33)16-5-3-14(4-6-16)12-35-18-9-10-28-21(32-18)19-20(15-7-8-15)29-13-30-23(19)34-2/h3-6,9-11,13,15H,7-8,12H2,1-2H3
InChIKeyQYTFAPCDHWQTMX-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.82
Rot. Bonds7

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

4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine (PubChem CID 172585633) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
PubChem CID172585633
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nccc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1
InChIInChI=1S/C24H21F3N6O2/c1-33-11-17(24(25,26)27)31-22(33)16-5-3-14(4-6-16)12-35-18-9-10-28-21(32-18)19-20(15-7-8-15)29-13-30-23(19)34-2/h3-6,9-11,13,15H,7-8,12H2,1-2H3
InChIKeyQYTFAPCDHWQTMX-UHFFFAOYSA-N
XLogP4.82
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine (CID 172585633) is 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine is COc1ncnc(C2CC2)c1-c1nccc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1.
What is the InChIKey of 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine?
The InChIKey is QYTFAPCDHWQTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-33-11-17(24(25,26)27)31-22(33)16-5-3-14(4-6-16)12-35-18-9-10-28-21(32-18)19-20(15-7-8-15)29-13-30-23(19)34-2/h3-6,9-11,13,15H,7-8,12H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine?
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine has a molecular weight of 482.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine is sourced from PubChem (CID 172585633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).