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

C26H30ClN5O3S — CID 146445078

IUPAC3-[[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
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1C[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C26H30ClN5O3S/c1-15-7-16(27)8-20(19(15)9-17-11-28-13-26(2,3)35-17)23-24-21(29-14-30-23)10-18(36-24)12-32-22(33)5-6-31(4)25(32)34/h7-8,10,14,17,28H,5-6,9,11-13H2,1-4H3/t17-/m1/s1
InChIKeyAZNHIHOLHMOPRH-QGZVFWFLSA-N
MW528.08 g/mol
LogP4.41
Rot. Bonds5

About 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

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 (PubChem CID 146445078) has the molecular formula C26H30ClN5O3S and a molecular weight of 528.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID146445078
Molecular FormulaC26H30ClN5O3S
Molecular Weight528.08 g/mol
Exact Mass527.18
IUPAC Name3-[[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
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1C[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C26H30ClN5O3S/c1-15-7-16(27)8-20(19(15)9-17-11-28-13-26(2,3)35-17)23-24-21(29-14-30-23)10-18(36-24)12-32-22(33)5-6-31(4)25(32)34/h7-8,10,14,17,28H,5-6,9,11-13H2,1-4H3/t17-/m1/s1
InChIKeyAZNHIHOLHMOPRH-QGZVFWFLSA-N
XLogP4.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.08
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
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
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
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
3-[[4-[5-chloro-2-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-ethylimidazolidine-2,4-dione
CID 146445343
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-[[7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methyl-1,3-diazinane-2,4-dione
CID 138610070
1-[[4-[5-chloro-2-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]pyrrolidin-2-one
CID 146445252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)CCN(C)C4=O)sc23)c1C[C@@H]1CNCC(C)(C)O1.
What is the InChIKey of 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?
The InChIKey is AZNHIHOLHMOPRH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30ClN5O3S/c1-15-7-16(27)8-20(19(15)9-17-11-28-13-26(2,3)35-17)23-24-21(29-14-30-23)10-18(36-24)12-32-22(33)5-6-31(4)25(32)34/h7-8,10,14,17,28H,5-6,9,11-13H2,1-4H3/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 528.08 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146445078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).