5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one

C20H23N6O2S+ — CID 9332973

IUPAC5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C
InChIInChI=1S/C20H22N6O2S/c1-11-12(2)29-19-17(11)18(24-16(25-19)10-26-5-7-28-8-6-26)21-13-3-4-14-15(9-13)23-20(27)22-14/h3-4,9H,5-8,10H2,1-2H3,(H,21,24,25)(H2,22,23,27)/p+1
InChIKeyOBQGTRKEQNQFRR-UHFFFAOYSA-O
MW411.51 g/mol
LogP1.64
Rot. Bonds4

About 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 9332973) has the molecular formula C20H23N6O2S+ and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID9332973
Molecular FormulaC20H23N6O2S+
Molecular Weight411.51 g/mol
Exact Mass411.16
IUPAC Name5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C
InChIInChI=1S/C20H22N6O2S/c1-11-12(2)29-19-17(11)18(24-16(25-19)10-26-5-7-28-8-6-26)21-13-3-4-14-15(9-13)23-20(27)22-14/h3-4,9H,5-8,10H2,1-2H3,(H,21,24,25)(H2,22,23,27)/p+1
InChIKeyOBQGTRKEQNQFRR-UHFFFAOYSA-O
XLogP1.64
TPSA100.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one 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

N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9212139
N-[(3-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281609
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2553400
4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 2125585
N-(1,3-benzodioxol-5-yl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965456
1-[3-[[10-(morpholin-4-ium-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino]phenyl]ethanone
CID 9281487
4-[[5,6-dimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9213192
N-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2460468
4-[[5,6-dimethyl-4-[(2-nitro-3-pyridinyl)oxy]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9111922
methyl 4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 9281009
N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methylbenzenesulfonamide
CID 9318847

Frequently Asked Questions

What is the IUPAC name of 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 9332973) is 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one is Cc1sc2nc(C[NH+]3CCOCC3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c2c1C.
What is the InChIKey of 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OBQGTRKEQNQFRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N6O2S/c1-11-12(2)29-19-17(11)18(24-16(25-19)10-26-5-7-28-8-6-26)21-13-3-4-14-15(9-13)23-20(27)22-14/h3-4,9H,5-8,10H2,1-2H3,(H,21,24,25)(H2,22,23,27)/p+1.
What are the key properties of 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 411.51 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 9332973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).