6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine

C26H32ClN5OS — CID 146454366

IUPAC6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4CC=CN(C)C4)sc23)c1CC1CNCC(C)(C)O1
InChIInChI=1S/C26H32ClN5OS/c1-17-8-18(27)9-22(21(17)10-19-12-28-14-26(2,3)33-19)24-25-23(29-15-30-24)11-20(34-25)13-32-7-5-6-31(4)16-32/h5-6,8-9,11,15,19,28H,7,10,12-14,16H2,1-4H3
InChIKeyYGKBPBPESSCREC-UHFFFAOYSA-N
MW498.10 g/mol
LogP4.85
Rot. Bonds5

About 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine

6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine (PubChem CID 146454366) has the molecular formula C26H32ClN5OS and a molecular weight of 498.10 g/mol. Its IUPAC name is 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine
PubChem CID146454366
Molecular FormulaC26H32ClN5OS
Molecular Weight498.10 g/mol
Exact Mass497.20
IUPAC Name6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4CC=CN(C)C4)sc23)c1CC1CNCC(C)(C)O1
InChIInChI=1S/C26H32ClN5OS/c1-17-8-18(27)9-22(21(17)10-19-12-28-14-26(2,3)33-19)24-25-23(29-15-30-24)11-20(34-25)13-32-7-5-6-31(4)16-32/h5-6,8-9,11,15,19,28H,7,10,12-14,16H2,1-4H3
InChIKeyYGKBPBPESSCREC-UHFFFAOYSA-N
XLogP4.85
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.10
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine with MolForge

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Related Compounds

3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
CID 146445149
3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione
CID 146445078
3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 146445232
3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 146445189
3-[[4-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
CID 146445361
3-[[4-[5-chloro-3-methyl-2-(morpholin-2-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-one
CID 146478875
3-[[4-[5-chloro-2-[(3S)-5,5-dimethylpiperidin-3-yl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 138609845
3-[[4-[5-chloro-2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146445164
(5S)-1-[[4-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 146445227
1-[[4-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 138609918
3-[[4-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2-difluoroethyl)imidazolidine-2,4-dione
CID 146445112
1-[[4-[5-chloro-2-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-2,6-dione
CID 146445388

Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine (CID 146454366) is 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine is Cc1cc(Cl)cc(-c2ncnc3cc(CN4CC=CN(C)C4)sc23)c1CC1CNCC(C)(C)O1.
What is the InChIKey of 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine?
The InChIKey is YGKBPBPESSCREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5OS/c1-17-8-18(27)9-22(21(17)10-19-12-28-14-26(2,3)33-19)24-25-23(29-15-30-24)11-20(34-25)13-32-7-5-6-31(4)16-32/h5-6,8-9,11,15,19,28H,7,10,12-14,16H2,1-4H3.
What are the key properties of 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine?
6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine has a molecular weight of 498.10 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-2-methyl-6-[6-[(1-methyl-2,4-dihydropyrimidin-3-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]phenyl]methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 146454366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).