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

C26H23F3N6O2S — CID 172584079

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc2c(c(OCc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n1)CSC2
InChIInChI=1S/C26H23F3N6O2S/c1-35-9-19(26(27,28)29)33-23(35)16-5-3-14(4-6-16)10-37-24-17-11-38-12-18(17)32-22(34-24)20-21(15-7-8-15)30-13-31-25(20)36-2/h3-6,9,13,15H,7-8,10-12H2,1-2H3
InChIKeyVYPPRMZGZJYOSR-UHFFFAOYSA-N
MW540.57 g/mol
LogP5.56
Rot. Bonds7

About 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

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 (PubChem CID 172584079) has the molecular formula C26H23F3N6O2S and a molecular weight of 540.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID172584079
Molecular FormulaC26H23F3N6O2S
Molecular Weight540.57 g/mol
Exact Mass540.16
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc2c(c(OCc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n1)CSC2
InChIInChI=1S/C26H23F3N6O2S/c1-35-9-19(26(27,28)29)33-23(35)16-5-3-14(4-6-16)10-37-24-17-11-38-12-18(17)32-22(34-24)20-21(15-7-8-15)30-13-31-25(20)36-2/h3-6,9,13,15H,7-8,10-12H2,1-2H3
InChIKeyVYPPRMZGZJYOSR-UHFFFAOYSA-N
XLogP5.56
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
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-(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-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585590
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
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
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-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 176758493
tert-butyl 3-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-2,5-dihydropyrrole-1-carboxylate
CID 172585876

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncnc(C2CC2)c1-c1nc2c(c(OCc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)n1)CSC2.
What is the InChIKey of 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?
The InChIKey is VYPPRMZGZJYOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2S/c1-35-9-19(26(27,28)29)33-23(35)16-5-3-14(4-6-16)10-37-24-17-11-38-12-18(17)32-22(34-24)20-21(15-7-8-15)30-13-31-25(20)36-2/h3-6,9,13,15H,7-8,10-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 540.57 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172584079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).