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

C29H28F3N7O2S — CID 172584073

IUPAC2-(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
SMILESCOc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2c(ccn2CCSC)n1
InChIInChI=1S/C29H28F3N7O2S/c1-38-14-21(29(30,31)32)36-26(38)19-6-4-17(5-7-19)15-41-28-24-20(10-11-39(24)12-13-42-3)35-25(37-28)22-23(18-8-9-18)33-16-34-27(22)40-2/h4-7,10-11,14,16,18H,8-9,12-13,15H2,1-3H3
InChIKeyWFUUPURCJFLUMA-UHFFFAOYSA-N
MW595.65 g/mol
LogP6.14
Rot. Bonds10

About 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

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 (PubChem CID 172584073) has the molecular formula C29H28F3N7O2S and a molecular weight of 595.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID172584073
Molecular FormulaC29H28F3N7O2S
Molecular Weight595.65 g/mol
Exact Mass595.20
IUPAC Name2-(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
SMILESCOc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2c(ccn2CCSC)n1
InChIInChI=1S/C29H28F3N7O2S/c1-38-14-21(29(30,31)32)36-26(38)19-6-4-17(5-7-19)15-41-28-24-20(10-11-39(24)12-13-42-3)35-25(37-28)22-23(18-8-9-18)33-16-34-27(22)40-2/h4-7,10-11,14,16,18H,8-9,12-13,15H2,1-3H3
InChIKeyWFUUPURCJFLUMA-UHFFFAOYSA-N
XLogP6.14
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.65
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
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)-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-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrimidine
CID 172585643
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-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)-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
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151526121

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c2c(ccn2CCSC)n1.
What is the InChIKey of 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?
The InChIKey is WFUUPURCJFLUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N7O2S/c1-38-14-21(29(30,31)32)36-26(38)19-6-4-17(5-7-19)15-41-28-24-20(10-11-39(24)12-13-42-3)35-25(37-28)22-23(18-8-9-18)33-16-34-27(22)40-2/h4-7,10-11,14,16,18H,8-9,12-13,15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 595.65 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172584073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).