4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine

C20H23N5OS — CID 142533170

IUPAC4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(C2CCCS2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-26-9-8-24(14)19-11-16(18-7-4-10-27-18)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3
InChIKeyIYJOGWIUISCBAO-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.61
Rot. Bonds3

About 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine

4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 142533170) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID142533170
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(C2CCCS2)nc(-n2cnc3ccccc32)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-26-9-8-24(14)19-11-16(18-7-4-10-27-18)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3
InChIKeyIYJOGWIUISCBAO-UHFFFAOYSA-N
XLogP3.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 137498347
2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
CID 142518114
[2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137405562
[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane
CID 137405601
(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 67550474
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-methylmorpholine
CID 90226403
1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine
CID 167663045
2-(benzimidazol-1-yl)-4-N-[(3S,4S)-3-methyloxan-4-yl]pyrimidine-4,5-diamine
CID 66970494
5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 69001162
4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-2-yl]morpholine
CID 89486933
1-[4-[1-(6-amino-5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine
CID 168831930

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 142533170) is 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine is CC1COCCN1c1cc(C2CCCS2)nc(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is IYJOGWIUISCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-12-26-9-8-24(14)19-11-16(18-7-4-10-27-18)22-20(23-19)25-13-21-15-5-2-3-6-17(15)25/h2-3,5-6,11,13-14,18H,4,7-10,12H2,1H3.
What are the key properties of 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 381.51 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 142533170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).