4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C18H17N5OS — CID 59593144

IUPAC4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C18H17N5OS/c1-12-19-13-4-2-3-5-15(13)23(12)18-20-14-6-11-25-16(14)17(21-18)22-7-9-24-10-8-22/h2-6,11H,7-10H2,1H3
InChIKeyKDHQHMPWDHZZED-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.18
Rot. Bonds2

About 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59593144) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59593144
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C18H17N5OS/c1-12-19-13-4-2-3-5-15(13)23(12)18-20-14-6-11-25-16(14)17(21-18)22-7-9-24-10-8-22/h2-6,11H,7-10H2,1H3
InChIKeyKDHQHMPWDHZZED-UHFFFAOYSA-N
XLogP3.18
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-1-ylmethyl)purin-6-yl]morpholine
CID 69087746
4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 112750461
N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 159415308
4-[8-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
CID 90718796
N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
CID 70802127
2,6-dimethyl-4-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]morpholine
CID 59605739
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[(3-morpholin-4-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
CID 59605946
2,2-dimethyl-N-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]propan-1-amine
CID 59606075
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-4-ylmethyl)purin-6-yl]morpholine
CID 59605636
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]purin-6-yl]morpholine
CID 59605664
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59593144) is 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sccc2n1.
What is the InChIKey of 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is KDHQHMPWDHZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-19-13-4-2-3-5-15(13)23(12)18-20-14-6-11-25-16(14)17(21-18)22-7-9-24-10-8-22/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 351.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59593144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).